5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide

C11H17N3O3S2 — CID 125439832

IUPAC5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(S(=O)(=O)NC[C@H]2CCCNC2)c1
InChIInChI=1S/C11H17N3O3S2/c12-11(15)9-4-10(18-7-9)19(16,17)14-6-8-2-1-3-13-5-8/h4,7-8,13-14H,1-3,5-6H2,(H2,12,15)/t8-/m0/s1
InChIKeyJABJZMXDGUPYBL-QMMMGPOBSA-N
MW303.41 g/mol
LogP0.12
Rot. Bonds5

About 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide

5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide (PubChem CID 125439832) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide
PubChem CID125439832
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(S(=O)(=O)NC[C@H]2CCCNC2)c1
InChIInChI=1S/C11H17N3O3S2/c12-11(15)9-4-10(18-7-9)19(16,17)14-6-8-2-1-3-13-5-8/h4,7-8,13-14H,1-3,5-6H2,(H2,12,15)/t8-/m0/s1
InChIKeyJABJZMXDGUPYBL-QMMMGPOBSA-N
XLogP0.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(piperidin-3-ylmethyl)thiophene-2,4-dicarboxamide;hydrochloride
CID 119463278
5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
CID 119464585
N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
CID 97166084
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120893998
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119968668
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide
CID 119968504
5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912089

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide (CID 125439832) is 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide is NC(=O)c1csc(S(=O)(=O)NC[C@H]2CCCNC2)c1.
What is the InChIKey of 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide?
The InChIKey is JABJZMXDGUPYBL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c12-11(15)9-4-10(18-7-9)19(16,17)14-6-8-2-1-3-13-5-8/h4,7-8,13-14H,1-3,5-6H2,(H2,12,15)/t8-/m0/s1.
What are the key properties of 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide?
5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide is sourced from PubChem (CID 125439832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).