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Summary

Name:	N-(2-aminoethyl)-5-{2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide
Formula:	C14 H16 N4 O2 S2
Formal charge:	0
Formula weight:	336.432 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2-aminoethyl)-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
OpenEye OEToolkits	1.9.2	N-(2-azanylethyl)-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c3sc(c1c2c(ncc1)nc(c2)C)cc3)NCCN
InChI	InChI	1.03	InChI=1S/C14H16N4O2S2/c1-9-8-11-10(4-6-16-14(11)18-9)12-2-3-13(21-12)22(19,20)17-7-5-15/h2-4,6,8,17H,5,7,15H2,1H3,(H,16,18)
InChIKey	InChI	1.03	AETIDEIXYCAWOW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1[nH]c2nccc(c3sc(cc3)[S](=O)(=O)NCCN)c2c1
SMILES	CACTVS	3.385	Cc1[nH]c2nccc(c3sc(cc3)[S](=O)(=O)NCCN)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN

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