(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide

C16H22N2O2S — CID 8809563

IUPAC(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
SMILESCc1ccc(SCC(=O)N2CCCC[C@@H]2C(N)=O)c(C)c1
InChIInChI=1S/C16H22N2O2S/c1-11-6-7-14(12(2)9-11)21-10-15(19)18-8-4-3-5-13(18)16(17)20/h6-7,9,13H,3-5,8,10H2,1-2H3,(H2,17,20)/t13-/m1/s1
InChIKeySGVNMARGYNVJRE-CYBMUJFWSA-N
MW306.43 g/mol
LogP2.26
Rot. Bonds4

About (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide

(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide (PubChem CID 8809563) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
PubChem CID8809563
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
SMILESCc1ccc(SCC(=O)N2CCCC[C@@H]2C(N)=O)c(C)c1
InChIInChI=1S/C16H22N2O2S/c1-11-6-7-14(12(2)9-11)21-10-15(19)18-8-4-3-5-13(18)16(17)20/h6-7,9,13H,3-5,8,10H2,1-2H3,(H2,17,20)/t13-/m1/s1
InChIKeySGVNMARGYNVJRE-CYBMUJFWSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 84840649
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
(2S)-1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8564762
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
CID 112786259
methyl 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43410178
(2S)-1-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 9345473
(2S)-1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxamide
CID 8977257
2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026679
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxamide
CID 62508896
(2S)-1-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide
CID 8694220
1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide
CID 84583941
1-propanoylpiperidine-2-carboxamide
CID 60717244

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide (CID 8809563) is (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide is Cc1ccc(SCC(=O)N2CCCC[C@@H]2C(N)=O)c(C)c1.
What is the InChIKey of (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide?
The InChIKey is SGVNMARGYNVJRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-6-7-14(12(2)9-11)21-10-15(19)18-8-4-3-5-13(18)16(17)20/h6-7,9,13H,3-5,8,10H2,1-2H3,(H2,17,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide?
(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide is sourced from PubChem (CID 8809563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).