2-(benzylsulfanylmethyl)azetidine

C11H15NS — CID 115070954

IUPAC2-(benzylsulfanylmethyl)azetidine
SMILESc1ccc(CSCC2CCN2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-11/h1-5,11-12H,6-9H2
InChIKeyWOMXCRBVCWUYHW-UHFFFAOYSA-N
MW193.32 g/mol
LogP2.28
Rot. Bonds4

About 2-(benzylsulfanylmethyl)azetidine

2-(benzylsulfanylmethyl)azetidine (PubChem CID 115070954) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 2-(benzylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name2-(benzylsulfanylmethyl)azetidine
PubChem CID115070954
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name2-(benzylsulfanylmethyl)azetidine
SMILESc1ccc(CSCC2CCN2)cc1
InChIInChI=1S/C11H15NS/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-11/h1-5,11-12H,6-9H2
InChIKeyWOMXCRBVCWUYHW-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(benzylsulfanylmethyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylphenyl)methylsulfanylmethyl]azetidine
CID 115070984
2-[(3-methylphenyl)methylsulfanylmethyl]azetidine
CID 115070956
2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine
CID 115070968
2-[(4-bromophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071015
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62766072
(2S)-2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 102820351
2-[(3-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071001
(4S)-4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine
CID 57283350
4-(benzylsulfanylmethyl)-2-propan-2-yl-1,3-oxazolidine
CID 18316083
2-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070999
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfanylmethyl)azetidine?
The IUPAC name of 2-(benzylsulfanylmethyl)azetidine (CID 115070954) is 2-(benzylsulfanylmethyl)azetidine.
What is the SMILES notation for 2-(benzylsulfanylmethyl)azetidine?
The canonical SMILES for 2-(benzylsulfanylmethyl)azetidine is c1ccc(CSCC2CCN2)cc1.
What is the InChIKey of 2-(benzylsulfanylmethyl)azetidine?
The InChIKey is WOMXCRBVCWUYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-11/h1-5,11-12H,6-9H2.
What are the key properties of 2-(benzylsulfanylmethyl)azetidine?
2-(benzylsulfanylmethyl)azetidine has a molecular weight of 193.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfanylmethyl)azetidine is sourced from PubChem (CID 115070954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).