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

C12H17ClF2N2O3S2 — CID 120553430

IUPAC3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1sccc1S(=O)(=O)C(F)F.Cl
InChIInChI=1S/C12H16F2N2O3S2.ClH/c1-7-6-15-4-2-8(7)16-11(17)10-9(3-5-20-10)21(18,19)12(13)14;/h3,5,7-8,12,15H,2,4,6H2,1H3,(H,16,17);1H
InChIKeyNDYOUMOYDXYMLP-UHFFFAOYSA-N
MW374.86 g/mol
LogP1.89
Rot. Bonds4

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

3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120553430) has the molecular formula C12H17ClF2N2O3S2 and a molecular weight of 374.86 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID120553430
Molecular FormulaC12H17ClF2N2O3S2
Molecular Weight374.86 g/mol
Exact Mass374.03
IUPAC Name3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1sccc1S(=O)(=O)C(F)F.Cl
InChIInChI=1S/C12H16F2N2O3S2.ClH/c1-7-6-15-4-2-8(7)16-11(17)10-9(3-5-20-10)21(18,19)12(13)14;/h3,5,7-8,12,15H,2,4,6H2,1H3,(H,16,17);1H
InChIKeyNDYOUMOYDXYMLP-UHFFFAOYSA-N
XLogP1.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.86
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120556996
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120556997
3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119450494
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 120555354
4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120557762
3-(difluoromethoxy)-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120555716
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
5-bromo-2-fluoro-N-(3-methylpiperidin-4-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 120557814
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (CID 120553430) is 3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1sccc1S(=O)(=O)C(F)F.Cl.
What is the InChIKey of 3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is NDYOUMOYDXYMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S2.ClH/c1-7-6-15-4-2-8(7)16-11(17)10-9(3-5-20-10)21(18,19)12(13)14;/h3,5,7-8,12,15H,2,4,6H2,1H3,(H,16,17);1H.
What are the key properties of 3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 374.86 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120553430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).