[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide

C14H19ClN2O3S — CID 96515234

IUPAC[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O3S/c15-13-5-1-3-11(7-13)8-14(18)17-6-2-4-12(9-17)10-21(16,19)20/h1,3,5,7,12H,2,4,6,8-10H2,(H2,16,19,20)/t12-/m0/s1
InChIKeyYQFAJELTEHPXBK-LBPRGKRZSA-N
MW330.84 g/mol
LogP1.41
Rot. Bonds4

About [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide

[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide (PubChem CID 96515234) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide
PubChem CID96515234
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O3S/c15-13-5-1-3-11(7-13)8-14(18)17-6-2-4-12(9-17)10-21(16,19)20/h1,3,5,7,12H,2,4,6,8-10H2,(H2,16,19,20)/t12-/m0/s1
InChIKeyYQFAJELTEHPXBK-LBPRGKRZSA-N
XLogP1.41
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide
CID 102602947
2-(3-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746581
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
[(3R)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95763389
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
2-[3-(2-aminoethoxy)phenyl]-1-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 126450881
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
2-[(3S)-1-[2-(3-aminophenyl)acetyl]piperidin-3-yl]acetic acid
CID 124512791
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide (CID 96515234) is [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide is NS(=O)(=O)C[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1.
What is the InChIKey of [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is YQFAJELTEHPXBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c15-13-5-1-3-11(7-13)8-14(18)17-6-2-4-12(9-17)10-21(16,19)20/h1,3,5,7,12H,2,4,6,8-10H2,(H2,16,19,20)/t12-/m0/s1.
What are the key properties of [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide?
[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 96515234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).