1-methyl-3-(2-methylsulfanylethyl)azetidine

C7H15NS — CID 154977317

IUPAC1-methyl-3-(2-methylsulfanylethyl)azetidine
SMILESCSCCC1CN(C)C1
InChIInChI=1S/C7H15NS/c1-8-5-7(6-8)3-4-9-2/h7H,3-6H2,1-2H3
InChIKeyXIAGCIIGZYUONT-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.30
Rot. Bonds3

About 1-methyl-3-(2-methylsulfanylethyl)azetidine

1-methyl-3-(2-methylsulfanylethyl)azetidine (PubChem CID 154977317) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfanylethyl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfanylethyl)azetidine
PubChem CID154977317
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-methyl-3-(2-methylsulfanylethyl)azetidine
SMILESCSCCC1CN(C)C1
InChIInChI=1S/C7H15NS/c1-8-5-7(6-8)3-4-9-2/h7H,3-6H2,1-2H3
InChIKeyXIAGCIIGZYUONT-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylsulfanylethyl)azetidine?
The IUPAC name of 1-methyl-3-(2-methylsulfanylethyl)azetidine (CID 154977317) is 1-methyl-3-(2-methylsulfanylethyl)azetidine.
What is the SMILES notation for 1-methyl-3-(2-methylsulfanylethyl)azetidine?
The canonical SMILES for 1-methyl-3-(2-methylsulfanylethyl)azetidine is CSCCC1CN(C)C1.
What is the InChIKey of 1-methyl-3-(2-methylsulfanylethyl)azetidine?
The InChIKey is XIAGCIIGZYUONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-8-5-7(6-8)3-4-9-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylsulfanylethyl)azetidine?
1-methyl-3-(2-methylsulfanylethyl)azetidine has a molecular weight of 145.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfanylethyl)azetidine is sourced from PubChem (CID 154977317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).