2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

C14H19NO3S — CID 58395167

IUPAC2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H19NO3S/c1-12-6-5-9-15(10-12)14(16)11-19(17,18)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyCODIBALXIONGKE-GFCCVEGCSA-N
MW281.38 g/mol
LogP1.72
Rot. Bonds3

About 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (PubChem CID 58395167) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
PubChem CID58395167
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H19NO3S/c1-12-6-5-9-15(10-12)14(16)11-19(17,18)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyCODIBALXIONGKE-GFCCVEGCSA-N
XLogP1.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-2-morpholin-4-ylethanone;ethane
CID 162119971
3-benzylsulfonyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 2230236
3-(benzenesulfonyl)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 17310076
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
CID 17312294
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
N-[2-(benzenesulfonyl)ethyl]-4-methylazepane-1-carboxamide
CID 86864238
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide
CID 163141018
2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
CID 78761127

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (CID 58395167) is 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is C[C@@H]1CCCN(C(=O)CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is CODIBALXIONGKE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-12-6-5-9-15(10-12)14(16)11-19(17,18)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m1/s1.
What are the key properties of 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 281.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 58395167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).