N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide

C19H28N2O2S — CID 119327208

IUPACN-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CS(=O)C2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C19H28N2O2S/c22-19(16-9-11-20-12-10-16)21-17-6-4-5-15(13-17)14-24(23)18-7-2-1-3-8-18/h4-6,13,16,18,20H,1-3,7-12,14H2,(H,21,22)
InChIKeyTWWUVXIXPGWXIM-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.21
Rot. Bonds5

About N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide

N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 119327208) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID119327208
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CS(=O)C2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C19H28N2O2S/c22-19(16-9-11-20-12-10-16)21-17-6-4-5-15(13-17)14-24(23)18-7-2-1-3-8-18/h4-6,13,16,18,20H,1-3,7-12,14H2,(H,21,22)
InChIKeyTWWUVXIXPGWXIM-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide 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

N-[3-(cyclohexylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119789972
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119327223
N-[3-(cyclohexylsulfinylmethyl)phenyl]prop-2-enamide
CID 166405123
N-[3-(cyclohexylsulfinylmethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119789944
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
CID 119333866
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 91642928
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea
CID 95980460
N-[3-(tert-butylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327256

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide (CID 119327208) is N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(CS(=O)C2CCCCC2)c1)C1CCNCC1.
What is the InChIKey of N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is TWWUVXIXPGWXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-19(16-9-11-20-12-10-16)21-17-6-4-5-15(13-17)14-24(23)18-7-2-1-3-8-18/h4-6,13,16,18,20H,1-3,7-12,14H2,(H,21,22).
What are the key properties of N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide?
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119327208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).