(3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide

C15H19ClN2O2S — CID 125129797

IUPAC(3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
SMILESC[C@@H](Sc1cccc(Cl)c1)C(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H19ClN2O2S/c1-10(21-13-6-2-5-12(16)8-13)15(20)18-7-3-4-11(9-18)14(17)19/h2,5-6,8,10-11H,3-4,7,9H2,1H3,(H2,17,19)/t10-,11+/m1/s1
InChIKeyNOJFHDNLXPWYJW-MNOVXSKESA-N
MW326.85 g/mol
LogP2.54
Rot. Bonds4

About (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide

(3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide (PubChem CID 125129797) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
PubChem CID125129797
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name(3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
SMILESC[C@@H](Sc1cccc(Cl)c1)C(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H19ClN2O2S/c1-10(21-13-6-2-5-12(16)8-13)15(20)18-7-3-4-11(9-18)14(17)19/h2,5-6,8,10-11H,3-4,7,9H2,1H3,(H2,17,19)/t10-,11+/m1/s1
InChIKeyNOJFHDNLXPWYJW-MNOVXSKESA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide
CID 134037835
1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 3859595
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-chlorophenyl)sulfanylpropan-1-one
CID 10644381
(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95167870
(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 785177
(2S)-1-(azepan-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 92662148
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
2-(4-amino-3-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79149876
2-(3-acetylphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 64661117
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
2-(2-amino-4-chlorophenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 43117482

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide (CID 125129797) is (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide is C[C@@H](Sc1cccc(Cl)c1)C(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide?
The InChIKey is NOJFHDNLXPWYJW-MNOVXSKESA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-10(21-13-6-2-5-12(16)8-13)15(20)18-7-3-4-11(9-18)14(17)19/h2,5-6,8,10-11H,3-4,7,9H2,1H3,(H2,17,19)/t10-,11+/m1/s1.
What are the key properties of (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide?
(3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide has a molecular weight of 326.85 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 125129797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).