(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide

C14H17ClN2O2S — CID 9199923

IUPAC(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1C(=O)CSc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2S/c15-10-5-1-2-7-12(10)20-9-13(18)17-8-4-3-6-11(17)14(16)19/h1-2,5,7,11H,3-4,6,8-9H2,(H2,16,19)/t11-/m1/s1
InChIKeyPROASVSHUBOYSW-LLVKDONJSA-N
MW312.82 g/mol
LogP2.30
Rot. Bonds4

About (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide

(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide (PubChem CID 9199923) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
PubChem CID9199923
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCCN1C(=O)CSc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2S/c15-10-5-1-2-7-12(10)20-9-13(18)17-8-4-3-6-11(17)14(16)19/h1-2,5,7,11H,3-4,6,8-9H2,(H2,16,19)/t11-/m1/s1
InChIKeyPROASVSHUBOYSW-LLVKDONJSA-N
XLogP2.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 8809563
1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 84840649
(2R)-1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 79035190
(2R)-1-[2-[[1-(2-chlorophenyl)-5-oxo-4H-imidazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8562439
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
(2S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidine-2-carboxamide
CID 9006524
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 119374934
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200644
(2R)-1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide
CID 8848818
(2S)-1-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperidine-2-carboxamide
CID 8848817
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
(2R)-1-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 40748115

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide (CID 9199923) is (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide is NC(=O)[C@H]1CCCCN1C(=O)CSc1ccccc1Cl.
What is the InChIKey of (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide?
The InChIKey is PROASVSHUBOYSW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c15-10-5-1-2-7-12(10)20-9-13(18)17-8-4-3-6-11(17)14(16)19/h1-2,5,7,11H,3-4,6,8-9H2,(H2,16,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide?
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide has a molecular weight of 312.82 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide is sourced from PubChem (CID 9199923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).