1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine

C12H25NS — CID 166960439

IUPAC1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine
SMILESCSC(C)CCC1CCN1CC(C)C
InChIInChI=1S/C12H25NS/c1-10(2)9-13-8-7-12(13)6-5-11(3)14-4/h10-12H,5-9H2,1-4H3
InChIKeyIOKHIEOOZIJXAO-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds6

About 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine

1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine (PubChem CID 166960439) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine
PubChem CID166960439
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine
SMILESCSC(C)CCC1CCN1CC(C)C
InChIInChI=1S/C12H25NS/c1-10(2)9-13-8-7-12(13)6-5-11(3)14-4/h10-12H,5-9H2,1-4H3
InChIKeyIOKHIEOOZIJXAO-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine 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 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine?
The IUPAC name of 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine (CID 166960439) is 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine?
The canonical SMILES for 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine is CSC(C)CCC1CCN1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine?
The InChIKey is IOKHIEOOZIJXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-10(2)9-13-8-7-12(13)6-5-11(3)14-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine?
1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(3-methylsulfanylbutyl)azetidine is sourced from PubChem (CID 166960439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).