(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C11H16N2O3S2 — CID 92802328

IUPAC(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H16N2O3S2/c1-12-11(14)9-4-2-6-13(8-9)18(15,16)10-5-3-7-17-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyWXBUHFMUPAVSBY-VIFPVBQESA-N
MW288.39 g/mol
LogP0.89
Rot. Bonds3

About (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 92802328) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID92802328
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C11H16N2O3S2/c1-12-11(14)9-4-2-6-13(8-9)18(15,16)10-5-3-7-17-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyWXBUHFMUPAVSBY-VIFPVBQESA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
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
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
(3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9075254
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 92802328) is (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is WXBUHFMUPAVSBY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-12-11(14)9-4-2-6-13(8-9)18(15,16)10-5-3-7-17-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92802328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).