3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide

C15H22N2OS — CID 107067830

IUPAC3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCCSc1ccccc1
InChIInChI=1S/C15H22N2OS/c1-12-6-5-9-16-14(12)15(18)17-10-11-19-13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyVZQQFOLJSNYMJC-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.28
Rot. Bonds5

About 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide

3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide (PubChem CID 107067830) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide
PubChem CID107067830
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCCSc1ccccc1
InChIInChI=1S/C15H22N2OS/c1-12-6-5-9-16-14(12)15(18)17-10-11-19-13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyVZQQFOLJSNYMJC-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylsulfanylethyl)pyrrolidine-2-carboxamide
CID 60717864
2-(2-phenylsulfanylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978477
2-(2-phenylsulfanylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974542
N-[2-(2-methoxyphenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 106260939
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
CID 107067870
2-hydroxy-4-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 107835996
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901
N-[3-(dimethylamino)propyl]-3-methylpiperidine-2-carboxamide
CID 62338925
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067147

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide (CID 107067830) is 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide is CC1CCCNC1C(=O)NCCSc1ccccc1.
What is the InChIKey of 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide?
The InChIKey is VZQQFOLJSNYMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-6-5-9-16-14(12)15(18)17-10-11-19-13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide?
3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylsulfanylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 107067830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).