2-cyclohexylsulfanyl-1-phenylbutan-1-amine

C16H25NS — CID 64632648

IUPAC2-cyclohexylsulfanyl-1-phenylbutan-1-amine
SMILESCCC(SC1CCCCC1)C(N)c1ccccc1
InChIInChI=1S/C16H25NS/c1-2-15(18-14-11-7-4-8-12-14)16(17)13-9-5-3-6-10-13/h3,5-6,9-10,14-16H,2,4,7-8,11-12,17H2,1H3
InChIKeyQABOQKDDSHOEOV-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.53
Rot. Bonds5

About 2-cyclohexylsulfanyl-1-phenylbutan-1-amine

2-cyclohexylsulfanyl-1-phenylbutan-1-amine (PubChem CID 64632648) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-phenylbutan-1-amine
PubChem CID64632648
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-cyclohexylsulfanyl-1-phenylbutan-1-amine
SMILESCCC(SC1CCCCC1)C(N)c1ccccc1
InChIInChI=1S/C16H25NS/c1-2-15(18-14-11-7-4-8-12-14)16(17)13-9-5-3-6-10-13/h3,5-6,9-10,14-16H,2,4,7-8,11-12,17H2,1H3
InChIKeyQABOQKDDSHOEOV-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexylsulfanyl-1-phenylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-phenylbutan-1-amine?
The IUPAC name of 2-cyclohexylsulfanyl-1-phenylbutan-1-amine (CID 64632648) is 2-cyclohexylsulfanyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-phenylbutan-1-amine is CCC(SC1CCCCC1)C(N)c1ccccc1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-phenylbutan-1-amine?
The InChIKey is QABOQKDDSHOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-2-15(18-14-11-7-4-8-12-14)16(17)13-9-5-3-6-10-13/h3,5-6,9-10,14-16H,2,4,7-8,11-12,17H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-phenylbutan-1-amine?
2-cyclohexylsulfanyl-1-phenylbutan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64632648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).