3-(ethylsulfanylmethyl)azetidine

C6H13NS — CID 54085885

IUPAC3-(ethylsulfanylmethyl)azetidine
SMILESCCSCC1CNC1
InChIInChI=1S/C6H13NS/c1-2-8-5-6-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyAMVMWKKMYHXCGC-UHFFFAOYSA-N
MW131.24 g/mol
LogP0.96
Rot. Bonds3

About 3-(ethylsulfanylmethyl)azetidine

3-(ethylsulfanylmethyl)azetidine (PubChem CID 54085885) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)azetidine
PubChem CID54085885
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-(ethylsulfanylmethyl)azetidine
SMILESCCSCC1CNC1
InChIInChI=1S/C6H13NS/c1-2-8-5-6-3-7-4-6/h6-7H,2-5H2,1H3
InChIKeyAMVMWKKMYHXCGC-UHFFFAOYSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)azetidine?
The IUPAC name of 3-(ethylsulfanylmethyl)azetidine (CID 54085885) is 3-(ethylsulfanylmethyl)azetidine.
What is the SMILES notation for 3-(ethylsulfanylmethyl)azetidine?
The canonical SMILES for 3-(ethylsulfanylmethyl)azetidine is CCSCC1CNC1.
What is the InChIKey of 3-(ethylsulfanylmethyl)azetidine?
The InChIKey is AMVMWKKMYHXCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-2-8-5-6-3-7-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-(ethylsulfanylmethyl)azetidine?
3-(ethylsulfanylmethyl)azetidine has a molecular weight of 131.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)azetidine is sourced from PubChem (CID 54085885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).