3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride

C13H22ClN3O3S2 — CID 120556996

IUPAC3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1sccc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C13H21N3O3S2.ClH/c1-9-8-14-6-4-10(9)15-13(17)12-11(5-7-20-12)21(18,19)16(2)3;/h5,7,9-10,14H,4,6,8H2,1-3H3,(H,15,17);1H
InChIKeyLHBBLBFXWVGXHT-UHFFFAOYSA-N
MW367.92 g/mol
LogP1.15
Rot. Bonds4

About 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride

3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120556996) has the molecular formula C13H22ClN3O3S2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID120556996
Molecular FormulaC13H22ClN3O3S2
Molecular Weight367.92 g/mol
Exact Mass367.08
IUPAC Name3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1sccc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C13H21N3O3S2.ClH/c1-9-8-14-6-4-10(9)15-13(17)12-11(5-7-20-12)21(18,19)16(2)3;/h5,7,9-10,14H,4,6,8H2,1-3H3,(H,15,17);1H
InChIKeyLHBBLBFXWVGXHT-UHFFFAOYSA-N
XLogP1.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120556997
3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120553430
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119535146
N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 120555354
3-(dimethylsulfamoyl)-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119461586
4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120557762
3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119450494
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 154907992
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557244

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (CID 120556996) is 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1sccc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is LHBBLBFXWVGXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2.ClH/c1-9-8-14-6-4-10(9)15-13(17)12-11(5-7-20-12)21(18,19)16(2)3;/h5,7,9-10,14H,4,6,8H2,1-3H3,(H,15,17);1H.
What are the key properties of 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120556996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).