1-methyl-3-(methylsulfanylmethyl)azetidine

C6H13NS — CID 141209983

IUPAC1-methyl-3-(methylsulfanylmethyl)azetidine
SMILESCSCC1CN(C)C1
InChIInChI=1S/C6H13NS/c1-7-3-6(4-7)5-8-2/h6H,3-5H2,1-2H3
InChIKeyFZPHEXDHQDBSHP-UHFFFAOYSA-N
MW131.24 g/mol
LogP0.91
Rot. Bonds2

About 1-methyl-3-(methylsulfanylmethyl)azetidine

1-methyl-3-(methylsulfanylmethyl)azetidine (PubChem CID 141209983) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 1-methyl-3-(methylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(methylsulfanylmethyl)azetidine
PubChem CID141209983
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name1-methyl-3-(methylsulfanylmethyl)azetidine
SMILESCSCC1CN(C)C1
InChIInChI=1S/C6H13NS/c1-7-3-6(4-7)5-8-2/h6H,3-5H2,1-2H3
InChIKeyFZPHEXDHQDBSHP-UHFFFAOYSA-N
XLogP0.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylsulfanylmethyl)azetidine?
The IUPAC name of 1-methyl-3-(methylsulfanylmethyl)azetidine (CID 141209983) is 1-methyl-3-(methylsulfanylmethyl)azetidine.
What is the SMILES notation for 1-methyl-3-(methylsulfanylmethyl)azetidine?
The canonical SMILES for 1-methyl-3-(methylsulfanylmethyl)azetidine is CSCC1CN(C)C1.
What is the InChIKey of 1-methyl-3-(methylsulfanylmethyl)azetidine?
The InChIKey is FZPHEXDHQDBSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-7-3-6(4-7)5-8-2/h6H,3-5H2,1-2H3.
What are the key properties of 1-methyl-3-(methylsulfanylmethyl)azetidine?
1-methyl-3-(methylsulfanylmethyl)azetidine has a molecular weight of 131.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylsulfanylmethyl)azetidine is sourced from PubChem (CID 141209983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).