4-butyl-N-methylthiolan-3-amine

C9H19NS — CID 83195974

IUPAC4-butyl-N-methylthiolan-3-amine
SMILESCCCCC1CSCC1NC
InChIInChI=1S/C9H19NS/c1-3-4-5-8-6-11-7-9(8)10-2/h8-10H,3-7H2,1-2H3
InChIKeyUICLBLPBGAQPKE-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds4

About 4-butyl-N-methylthiolan-3-amine

4-butyl-N-methylthiolan-3-amine (PubChem CID 83195974) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-butyl-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-butyl-N-methylthiolan-3-amine
PubChem CID83195974
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-butyl-N-methylthiolan-3-amine
SMILESCCCCC1CSCC1NC
InChIInChI=1S/C9H19NS/c1-3-4-5-8-6-11-7-9(8)10-2/h8-10H,3-7H2,1-2H3
InChIKeyUICLBLPBGAQPKE-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butyl-N-methylthiolan-3-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 4-butyl-N-methylthiolan-3-amine?
The IUPAC name of 4-butyl-N-methylthiolan-3-amine (CID 83195974) is 4-butyl-N-methylthiolan-3-amine.
What is the SMILES notation for 4-butyl-N-methylthiolan-3-amine?
The canonical SMILES for 4-butyl-N-methylthiolan-3-amine is CCCCC1CSCC1NC.
What is the InChIKey of 4-butyl-N-methylthiolan-3-amine?
The InChIKey is UICLBLPBGAQPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-4-5-8-6-11-7-9(8)10-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-butyl-N-methylthiolan-3-amine?
4-butyl-N-methylthiolan-3-amine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methylthiolan-3-amine is sourced from PubChem (CID 83195974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).