N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide

C15H23N3O3S2 — CID 99812976

IUPACN-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(S(N)(=O)=O)CC2)sc2c1CCCC2
InChIInChI=1S/C15H23N3O3S2/c1-10-12-4-2-3-5-13(12)22-15(10)17-14(19)11-6-8-18(9-7-11)23(16,20)21/h11H,2-9H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyRCNRPOKDQGPOOB-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.79
Rot. Bonds3

About N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide

N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 99812976) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide
PubChem CID99812976
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(S(N)(=O)=O)CC2)sc2c1CCCC2
InChIInChI=1S/C15H23N3O3S2/c1-10-12-4-2-3-5-13(12)22-15(10)17-14(19)11-6-8-18(9-7-11)23(16,20)21/h11H,2-9H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyRCNRPOKDQGPOOB-UHFFFAOYSA-N
XLogP1.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 6473263
molecular hydrogen;N-(3-pyrrolidin-1-ylsulfonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
CID 153377085
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55334164
2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 119803404
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrolidine-2-carboxamide
CID 119334902
ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 6465805
N-(5-methyl-1,3-thiazol-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 47158637
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-2-carboxamide
CID 119334886
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120794901
carbamoyl 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 91273292
N-[3-(2-methylpropylsulfamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
CID 146278566
methyl N-[2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate
CID 41100044

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide (CID 99812976) is N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide is Cc1c(NC(=O)C2CCN(S(N)(=O)=O)CC2)sc2c1CCCC2.
What is the InChIKey of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is RCNRPOKDQGPOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-10-12-4-2-3-5-13(12)22-15(10)17-14(19)11-6-8-18(9-7-11)23(16,20)21/h11H,2-9H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide?
N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 99812976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).