N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine

C15H23NS — CID 78962138

IUPACN-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
SMILESCN(CCSc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H23NS/c1-16(14-8-4-2-5-9-14)12-13-17-15-10-6-3-7-11-15/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3
InChIKeyQNFASQRXMDLIQI-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.04
Rot. Bonds5

About N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine

N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine (PubChem CID 78962138) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
PubChem CID78962138
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
SMILESCN(CCSc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H23NS/c1-16(14-8-4-2-5-9-14)12-13-17-15-10-6-3-7-11-15/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3
InChIKeyQNFASQRXMDLIQI-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584837
N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584812
2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol
CID 102636673
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-phenylsulfanylpropanamide
CID 55527708
N'-cyclopentyl-N-methyl-N-(3-phenylsulfanylpropyl)-N'-propylethane-1,2-diamine
CID 118584828
1-cyclohexyl-1-methyl-3-(2-phenylsulfanylethyl)thiourea
CID 18282704
N'-tert-butyl-N'-cyclohexyl-N-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584880
N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 79315178
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine
CID 59728996
N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
CID 102684582
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine
CID 78998004

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine?
The IUPAC name of N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine (CID 78962138) is N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine.
What is the SMILES notation for N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine?
The canonical SMILES for N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine is CN(CCSc1ccccc1)C1CCCCC1.
What is the InChIKey of N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine?
The InChIKey is QNFASQRXMDLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-16(14-8-4-2-5-9-14)12-13-17-15-10-6-3-7-11-15/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3.
What are the key properties of N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine?
N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine has a molecular weight of 249.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine is sourced from PubChem (CID 78962138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).