1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide

C16H22N2O2S — CID 84840649

IUPAC1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
SMILESCc1ccc(C)c(SCC(=O)N2CCCCC2C(N)=O)c1
InChIInChI=1S/C16H22N2O2S/c1-11-6-7-12(2)14(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)
InChIKeyZLMUJSPWXCLORX-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide

1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide (PubChem CID 84840649) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
PubChem CID84840649
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
SMILESCc1ccc(C)c(SCC(=O)N2CCCCC2C(N)=O)c1
InChIInChI=1S/C16H22N2O2S/c1-11-6-7-12(2)14(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)
InChIKeyZLMUJSPWXCLORX-UHFFFAOYSA-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

(2R)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 8809563
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
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
2-(2,5-dimethylphenyl)sulfanyl-1-(2-pyridin-4-ylazepan-1-yl)ethanone
CID 55764276
(2S)-1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8564762
(2S)-1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxamide
CID 8977257
(2S)-1-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 9345473
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxamide
CID 62508896
1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-6-methylpiperidine-3-carboxylic acid
CID 122084023
(3S)-1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 81120220
1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide
CID 84583941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide (CID 84840649) is 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide is Cc1ccc(C)c(SCC(=O)N2CCCCC2C(N)=O)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide?
The InChIKey is ZLMUJSPWXCLORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11-6-7-12(2)14(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).
What are the key properties of 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide?
1-[2-(2,5-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 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide is sourced from PubChem (CID 84840649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).