2-benzylsulfinylcyclohexan-1-amine

C13H19NOS — CID 64660290

IUPAC2-benzylsulfinylcyclohexan-1-amine
SMILESNC1CCCCC1S(=O)Cc1ccccc1
InChIInChI=1S/C13H19NOS/c14-12-8-4-5-9-13(12)16(15)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2
InChIKeyYDBKNYMMMWDVNF-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.21
Rot. Bonds3

About 2-benzylsulfinylcyclohexan-1-amine

2-benzylsulfinylcyclohexan-1-amine (PubChem CID 64660290) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-benzylsulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name2-benzylsulfinylcyclohexan-1-amine
PubChem CID64660290
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-benzylsulfinylcyclohexan-1-amine
SMILESNC1CCCCC1S(=O)Cc1ccccc1
InChIInChI=1S/C13H19NOS/c14-12-8-4-5-9-13(12)16(15)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2
InChIKeyYDBKNYMMMWDVNF-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzylsulfinylcyclohexan-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-benzylsulfinylcyclohexan-1-amine?
The IUPAC name of 2-benzylsulfinylcyclohexan-1-amine (CID 64660290) is 2-benzylsulfinylcyclohexan-1-amine.
What is the SMILES notation for 2-benzylsulfinylcyclohexan-1-amine?
The canonical SMILES for 2-benzylsulfinylcyclohexan-1-amine is NC1CCCCC1S(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfinylcyclohexan-1-amine?
The InChIKey is YDBKNYMMMWDVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c14-12-8-4-5-9-13(12)16(15)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2.
What are the key properties of 2-benzylsulfinylcyclohexan-1-amine?
2-benzylsulfinylcyclohexan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinylcyclohexan-1-amine is sourced from PubChem (CID 64660290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).