(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C14H19ClF2N2OS — CID 120615898

IUPAC(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)CCN1.Cl
InChIInChI=1S/C14H18F2N2OS.ClH/c1-9-8-10(6-7-17-9)13(19)18-11-2-4-12(5-3-11)20-14(15)16;/h2-5,9-10,14,17H,6-8H2,1H3,(H,18,19);1H/t9-,10-;/m0./s1
InChIKeyVEJDGUWZQRLHEW-IYPAPVHQSA-N
MW336.84 g/mol
LogP3.75
Rot. Bonds4

About (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120615898) has the molecular formula C14H19ClF2N2OS and a molecular weight of 336.84 g/mol. Its IUPAC name is (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120615898
Molecular FormulaC14H19ClF2N2OS
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Name(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)CCN1.Cl
InChIInChI=1S/C14H18F2N2OS.ClH/c1-9-8-10(6-7-17-9)13(19)18-11-2-4-12(5-3-11)20-14(15)16;/h2-5,9-10,14,17H,6-8H2,1H3,(H,18,19);1H/t9-,10-;/m0./s1
InChIKeyVEJDGUWZQRLHEW-IYPAPVHQSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
CID 114422936
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119668988
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120615898) is (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VEJDGUWZQRLHEW-IYPAPVHQSA-N. The full InChI is InChI=1S/C14H18F2N2OS.ClH/c1-9-8-10(6-7-17-9)13(19)18-11-2-4-12(5-3-11)20-14(15)16;/h2-5,9-10,14,17H,6-8H2,1H3,(H,18,19);1H/t9-,10-;/m0./s1.
What are the key properties of (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120615898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).