(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide

C15H22N2O3S — CID 7319798

IUPAC(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-12(13-7-4-3-5-8-13)16-15(18)14-9-6-10-17(11-14)21(2,19)20/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,16,18)/t12-,14+/m1/s1
InChIKeyKPBQMISBLWKZHZ-OCCSQVGLSA-N
MW310.42 g/mol
LogP1.54
Rot. Bonds4

About (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide

(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide (PubChem CID 7319798) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
PubChem CID7319798
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-12(13-7-4-3-5-8-13)16-15(18)14-9-6-10-17(11-14)21(2,19)20/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,16,18)/t12-,14+/m1/s1
InChIKeyKPBQMISBLWKZHZ-OCCSQVGLSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
(3R)-1-methylsulfonyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95118836
(3S)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 100822017
(3S)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591181
(3R)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591179
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 133185941
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 133254929
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]piperidine-3-carboxamide
CID 100659484
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
CID 94625034
ethyl 4-[3-(1-phenylethylcarbamoyl)piperidin-1-yl]sulfonylpiperazine-1-carboxylate
CID 24789953
(3S)-N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073136
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide (CID 7319798) is (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1.
What is the InChIKey of (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide?
The InChIKey is KPBQMISBLWKZHZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(13-7-4-3-5-8-13)16-15(18)14-9-6-10-17(11-14)21(2,19)20/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,16,18)/t12-,14+/m1/s1.
What are the key properties of (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide?
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 7319798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).