N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C13H20N2O3S2 — CID 3239956

IUPACN-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C13H20N2O3S2/c1-10(2)14-13(16)11-5-3-7-15(9-11)20(17,18)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,14,16)
InChIKeyFXYPLTVWZCUOPV-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.67
Rot. Bonds4

About N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3239956) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID3239956
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C13H20N2O3S2/c1-10(2)14-13(16)11-5-3-7-15(9-11)20(17,18)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,14,16)
InChIKeyFXYPLTVWZCUOPV-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(1-pyridin-4-ylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18160601
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3S)-N-[(1S)-3-methyl-1-phenylbutyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94012606
(3S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92686059
(3S)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 31942892
(3R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092739
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3R)-N-[(S)-(4-methylphenyl)-phenylmethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 37152907
(3S)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019231

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 3239956) is N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is FXYPLTVWZCUOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-10(2)14-13(16)11-5-3-7-15(9-11)20(17,18)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,14,16).
What are the key properties of N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3239956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).