N-(cyclobutylmethyl)-5-methylthiolan-3-amine

C10H19NS — CID 79941517

IUPACN-(cyclobutylmethyl)-5-methylthiolan-3-amine
SMILESCC1CC(NCC2CCC2)CS1
InChIInChI=1S/C10H19NS/c1-8-5-10(7-12-8)11-6-9-3-2-4-9/h8-11H,2-7H2,1H3
InChIKeyQDLHVGAYBCZFAM-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds3

About N-(cyclobutylmethyl)-5-methylthiolan-3-amine

N-(cyclobutylmethyl)-5-methylthiolan-3-amine (PubChem CID 79941517) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-methylthiolan-3-amine
PubChem CID79941517
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-(cyclobutylmethyl)-5-methylthiolan-3-amine
SMILESCC1CC(NCC2CCC2)CS1
InChIInChI=1S/C10H19NS/c1-8-5-10(7-12-8)11-6-9-3-2-4-9/h8-11H,2-7H2,1H3
InChIKeyQDLHVGAYBCZFAM-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclobutylmethyl)-5-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 N-(cyclobutylmethyl)-5-methylthiolan-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-5-methylthiolan-3-amine (CID 79941517) is N-(cyclobutylmethyl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-5-methylthiolan-3-amine is CC1CC(NCC2CCC2)CS1.
What is the InChIKey of N-(cyclobutylmethyl)-5-methylthiolan-3-amine?
The InChIKey is QDLHVGAYBCZFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8-5-10(7-12-8)11-6-9-3-2-4-9/h8-11H,2-7H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-5-methylthiolan-3-amine?
N-(cyclobutylmethyl)-5-methylthiolan-3-amine has a molecular weight of 185.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79941517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).