(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine

C16H23NS — CID 65138945

IUPAC(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine
SMILESNCC1(SC2CCCC2)CC(c2ccccc2)C1
InChIInChI=1S/C16H23NS/c17-12-16(18-15-8-4-5-9-15)10-14(11-16)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,17H2
InChIKeyGFSVTFOOXCFCQX-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.94
Rot. Bonds4

About (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine

(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine (PubChem CID 65138945) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine.

Molecular Properties

Compound Name(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine
PubChem CID65138945
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine
SMILESNCC1(SC2CCCC2)CC(c2ccccc2)C1
InChIInChI=1S/C16H23NS/c17-12-16(18-15-8-4-5-9-15)10-14(11-16)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,17H2
InChIKeyGFSVTFOOXCFCQX-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine 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 (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine?
The IUPAC name of (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine (CID 65138945) is (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine.
What is the SMILES notation for (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine?
The canonical SMILES for (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine is NCC1(SC2CCCC2)CC(c2ccccc2)C1.
What is the InChIKey of (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine?
The InChIKey is GFSVTFOOXCFCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c17-12-16(18-15-8-4-5-9-15)10-14(11-16)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,17H2.
What are the key properties of (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine?
(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine has a molecular weight of 261.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine is sourced from PubChem (CID 65138945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).