[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide

C15H21ClN2O3S — CID 96510197

IUPAC[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
SMILESC[C@H](C(=O)N1CCC(CS(N)(=O)=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-11(13-3-2-4-14(16)9-13)15(19)18-7-5-12(6-8-18)10-22(17,20)21/h2-4,9,11-12H,5-8,10H2,1H3,(H2,17,20,21)/t11-/m0/s1
InChIKeyGKJMRWLDQXIDRE-NSHDSACASA-N
MW344.86 g/mol
LogP1.97
Rot. Bonds4

About [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide

[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 96510197) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
PubChem CID96510197
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
SMILESC[C@H](C(=O)N1CCC(CS(N)(=O)=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-11(13-3-2-4-14(16)9-13)15(19)18-7-5-12(6-8-18)10-22(17,20)21/h2-4,9,11-12H,5-8,10H2,1H3,(H2,17,20,21)/t11-/m0/s1
InChIKeyGKJMRWLDQXIDRE-NSHDSACASA-N
XLogP1.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide
CID 102602947
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119624978
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
2-(3-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one;hydrochloride
CID 119638893
2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide
CID 106591103
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
2-(3-aminophenyl)-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 106591777
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
2-(3-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one
CID 111781942
1-[2-(3-chlorophenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118112

Frequently Asked Questions

What is the IUPAC name of [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide (CID 96510197) is [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide is C[C@H](C(=O)N1CCC(CS(N)(=O)=O)CC1)c1cccc(Cl)c1.
What is the InChIKey of [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is GKJMRWLDQXIDRE-NSHDSACASA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11(13-3-2-4-14(16)9-13)15(19)18-7-5-12(6-8-18)10-22(17,20)21/h2-4,9,11-12H,5-8,10H2,1H3,(H2,17,20,21)/t11-/m0/s1.
What are the key properties of [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide?
[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 96510197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).