3-methyl-N-methylsulfanylcyclobutan-1-amine

C6H13NS — CID 138720104

IUPAC3-methyl-N-methylsulfanylcyclobutan-1-amine
SMILESCSNC1CC(C)C1
InChIInChI=1S/C6H13NS/c1-5-3-6(4-5)7-8-2/h5-7H,3-4H2,1-2H3
InChIKeyPZXGMLMRWXLEEE-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.65
Rot. Bonds2

About 3-methyl-N-methylsulfanylcyclobutan-1-amine

3-methyl-N-methylsulfanylcyclobutan-1-amine (PubChem CID 138720104) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-methyl-N-methylsulfanylcyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-methylsulfanylcyclobutan-1-amine
PubChem CID138720104
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-methyl-N-methylsulfanylcyclobutan-1-amine
SMILESCSNC1CC(C)C1
InChIInChI=1S/C6H13NS/c1-5-3-6(4-5)7-8-2/h5-7H,3-4H2,1-2H3
InChIKeyPZXGMLMRWXLEEE-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-methylsulfanylcyclobutan-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 3-methyl-N-methylsulfanylcyclobutan-1-amine?
The IUPAC name of 3-methyl-N-methylsulfanylcyclobutan-1-amine (CID 138720104) is 3-methyl-N-methylsulfanylcyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-methylsulfanylcyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-methylsulfanylcyclobutan-1-amine is CSNC1CC(C)C1.
What is the InChIKey of 3-methyl-N-methylsulfanylcyclobutan-1-amine?
The InChIKey is PZXGMLMRWXLEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-3-6(4-5)7-8-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-methyl-N-methylsulfanylcyclobutan-1-amine?
3-methyl-N-methylsulfanylcyclobutan-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-methylsulfanylcyclobutan-1-amine is sourced from PubChem (CID 138720104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).