N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide

C13H21N3O3S2 — CID 96581050

IUPACN-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H](NC(=O)c2ccsc2)C1
InChIInChI=1S/C13H21N3O3S2/c1-15(2)21(18,19)16-7-4-3-5-12(9-16)14-13(17)11-6-8-20-10-11/h6,8,10,12H,3-5,7,9H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyOISDGIHXRCHSKY-GFCCVEGCSA-N
MW331.46 g/mol
LogP1.14
Rot. Bonds4

About N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide

N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide (PubChem CID 96581050) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide
PubChem CID96581050
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC NameN-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H](NC(=O)c2ccsc2)C1
InChIInChI=1S/C13H21N3O3S2/c1-15(2)21(18,19)16-7-4-3-5-12(9-16)14-13(17)11-6-8-20-10-11/h6,8,10,12H,3-5,7,9H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyOISDGIHXRCHSKY-GFCCVEGCSA-N
XLogP1.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-methylsulfonylpiperidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 47909584
N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide
CID 86334993
N-[1-(2-chloroacetyl)piperidin-3-yl]thiophene-3-carboxamide
CID 71304757
(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
CID 96579953
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
CID 32503634
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-3-carboxamide
CID 95136995
N-cyclobutyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72916418
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide (CID 96581050) is N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide is CN(C)S(=O)(=O)N1CCCC[C@@H](NC(=O)c2ccsc2)C1.
What is the InChIKey of N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide?
The InChIKey is OISDGIHXRCHSKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-15(2)21(18,19)16-7-4-3-5-12(9-16)14-13(17)11-6-8-20-10-11/h6,8,10,12H,3-5,7,9H2,1-2H3,(H,14,17)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide?
N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 96581050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).