8-methylsulfanyloctan-1-amine

C9H21NS — CID 19892123

IUPAC8-methylsulfanyloctan-1-amine
SMILESCSCCCCCCCCN
InChIInChI=1S/C9H21NS/c1-11-9-7-5-3-2-4-6-8-10/h2-10H2,1H3
InChIKeyFBFJELLIZHWAOM-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.65
Rot. Bonds8

About 8-methylsulfanyloctan-1-amine

8-methylsulfanyloctan-1-amine (PubChem CID 19892123) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 8-methylsulfanyloctan-1-amine.

Molecular Properties

Compound Name8-methylsulfanyloctan-1-amine
PubChem CID19892123
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name8-methylsulfanyloctan-1-amine
SMILESCSCCCCCCCCN
InChIInChI=1S/C9H21NS/c1-11-9-7-5-3-2-4-6-8-10/h2-10H2,1H3
InChIKeyFBFJELLIZHWAOM-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-methylsulfanyloctan-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 8-methylsulfanyloctan-1-amine?
The IUPAC name of 8-methylsulfanyloctan-1-amine (CID 19892123) is 8-methylsulfanyloctan-1-amine.
What is the SMILES notation for 8-methylsulfanyloctan-1-amine?
The canonical SMILES for 8-methylsulfanyloctan-1-amine is CSCCCCCCCCN.
What is the InChIKey of 8-methylsulfanyloctan-1-amine?
The InChIKey is FBFJELLIZHWAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-11-9-7-5-3-2-4-6-8-10/h2-10H2,1H3.
What are the key properties of 8-methylsulfanyloctan-1-amine?
8-methylsulfanyloctan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyloctan-1-amine is sourced from PubChem (CID 19892123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).