1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine

C16H25NS — CID 114066596

IUPAC1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C16H25NS/c1-3-16(17-2)13-9-11-15(12-10-13)18-14-7-5-4-6-8-14/h9-12,14,16-17H,3-8H2,1-2H3
InChIKeyNPQFLIWWYRDPCJ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.78
Rot. Bonds5

About 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine

1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine (PubChem CID 114066596) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine
PubChem CID114066596
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C16H25NS/c1-3-16(17-2)13-9-11-15(12-10-13)18-14-7-5-4-6-8-14/h9-12,14,16-17H,3-8H2,1-2H3
InChIKeyNPQFLIWWYRDPCJ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-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

N-butan-2-yl-4-cyclopentylsulfanylaniline
CID 43726330
3-(4-cyclopentylsulfanylphenyl)-1-fluoropentan-2-amine
CID 134316554
1-(4-cyclohexylsulfanylphenyl)-3-(methylamino)-1-phenylpropan-2-ol
CID 20573539
4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43726275
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724
1-tert-butyl-4-cyclohexylsulfanylbenzene
CID 22367519
1-(4-cyclohexylsulfanylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 20573848
1-(4-cyclohexylsulfanylphenyl)-3-(ethylamino)propan-2-ol
CID 20573336
3-(4-cyclohexylsulfanylphenyl)-1-(dimethylamino)butan-2-ol
CID 20573536
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
2-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-ol
CID 82499370
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine (CID 114066596) is 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine is CCC(NC)c1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine?
The InChIKey is NPQFLIWWYRDPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-16(17-2)13-9-11-15(12-10-13)18-14-7-5-4-6-8-14/h9-12,14,16-17H,3-8H2,1-2H3.
What are the key properties of 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine?
1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylsulfanylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 114066596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).