2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide

C14H19FN2OS — CID 141079014

IUPAC2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide
SMILESCSC1CCN(C(N)=O)C(c2ccc(F)cc2C)C1
InChIInChI=1S/C14H19FN2OS/c1-9-7-10(15)3-4-12(9)13-8-11(19-2)5-6-17(13)14(16)18/h3-4,7,11,13H,5-6,8H2,1-2H3,(H2,16,18)
InChIKeySKJBGRPVIQNBRL-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.08
Rot. Bonds2

About 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide

2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide (PubChem CID 141079014) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide
PubChem CID141079014
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide
SMILESCSC1CCN(C(N)=O)C(c2ccc(F)cc2C)C1
InChIInChI=1S/C14H19FN2OS/c1-9-7-10(15)3-4-12(9)13-8-11(19-2)5-6-17(13)14(16)18/h3-4,7,11,13H,5-6,8H2,1-2H3,(H2,16,18)
InChIKeySKJBGRPVIQNBRL-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide (CID 141079014) is 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide is CSC1CCN(C(N)=O)C(c2ccc(F)cc2C)C1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide?
The InChIKey is SKJBGRPVIQNBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-9-7-10(15)3-4-12(9)13-8-11(19-2)5-6-17(13)14(16)18/h3-4,7,11,13H,5-6,8H2,1-2H3,(H2,16,18).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide?
2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-methylsulfanylpiperidine-1-carboxamide is sourced from PubChem (CID 141079014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).