2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine

C11H21NS — CID 130617127

IUPAC2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine
SMILESCSC1CCC1NC1CC(C)C1C
InChIInChI=1S/C11H21NS/c1-7-6-10(8(7)2)12-9-4-5-11(9)13-3/h7-12H,4-6H2,1-3H3
InChIKeyNQMWJWFLVVJPDF-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.51
Rot. Bonds3

About 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine

2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine (PubChem CID 130617127) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine
PubChem CID130617127
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine
SMILESCSC1CCC1NC1CC(C)C1C
InChIInChI=1S/C11H21NS/c1-7-6-10(8(7)2)12-9-4-5-11(9)13-3/h7-12H,4-6H2,1-3H3
InChIKeyNQMWJWFLVVJPDF-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-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 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine (CID 130617127) is 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine is CSC1CCC1NC1CC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine?
The InChIKey is NQMWJWFLVVJPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-7-6-10(8(7)2)12-9-4-5-11(9)13-3/h7-12H,4-6H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine?
2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine is sourced from PubChem (CID 130617127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).