1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine

C11H21NS — CID 89248913

IUPAC1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine
SMILESCC(C)(C)N1CC(SCC2CC2)C1
InChIInChI=1S/C11H21NS/c1-11(2,3)12-6-10(7-12)13-8-9-4-5-9/h9-10H,4-8H2,1-3H3
InChIKeyOCAYNFWHMDEEBC-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.61
Rot. Bonds3

About 1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine

1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine (PubChem CID 89248913) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine
PubChem CID89248913
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine
SMILESCC(C)(C)N1CC(SCC2CC2)C1
InChIInChI=1S/C11H21NS/c1-11(2,3)12-6-10(7-12)13-8-9-4-5-9/h9-10H,4-8H2,1-3H3
InChIKeyOCAYNFWHMDEEBC-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(cyclopropylmethylsulfanyl)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-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine?
The IUPAC name of 1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine (CID 89248913) is 1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine?
The canonical SMILES for 1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine is CC(C)(C)N1CC(SCC2CC2)C1.
What is the InChIKey of 1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine?
The InChIKey is OCAYNFWHMDEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-11(2,3)12-6-10(7-12)13-8-9-4-5-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine?
1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine has a molecular weight of 199.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(cyclopropylmethylsulfanyl)azetidine is sourced from PubChem (CID 89248913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).