2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide

C15H22N2OS — CID 120556800

IUPAC2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
SMILESCc1ccccc1SCC(=O)NC1CCNCC1C
InChIInChI=1S/C15H22N2OS/c1-11-5-3-4-6-14(11)19-10-15(18)17-13-7-8-16-9-12(13)2/h3-6,12-13,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyGKYQCVUVLYYCRE-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.20
Rot. Bonds4

About 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide

2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120556800) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120556800
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
SMILESCc1ccccc1SCC(=O)NC1CCNCC1C
InChIInChI=1S/C15H22N2OS/c1-11-5-3-4-6-14(11)19-10-15(18)17-13-7-8-16-9-12(13)2/h3-6,12-13,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyGKYQCVUVLYYCRE-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 70778374
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120553350
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 120557119
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide (CID 120556800) is 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide is Cc1ccccc1SCC(=O)NC1CCNCC1C.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is GKYQCVUVLYYCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-5-3-4-6-14(11)19-10-15(18)17-13-7-8-16-9-12(13)2/h3-6,12-13,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide?
2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120556800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).