N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine

C17H27NO2S — CID 61020638

IUPACN-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27NO2S/c1-21(19,20)14-8-13-18-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2,4-5,9-10,16-18H,3,6-8,11-14H2,1H3
InChIKeyPCYUTRDOGHLDAM-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.33
Rot. Bonds7

About N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine

N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine (PubChem CID 61020638) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
PubChem CID61020638
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27NO2S/c1-21(19,20)14-8-13-18-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2,4-5,9-10,16-18H,3,6-8,11-14H2,1H3
InChIKeyPCYUTRDOGHLDAM-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine 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

4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea
CID 95573065
N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 43099675
N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine
CID 115903696
N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
CID 81395595
N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 67118786
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine (CID 61020638) is N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCCNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine?
The InChIKey is PCYUTRDOGHLDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-21(19,20)14-8-13-18-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2,4-5,9-10,16-18H,3,6-8,11-14H2,1H3.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine?
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 61020638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).