1,3-dimethyl-3-(methylsulfanylmethyl)azetidine

C7H15NS — CID 21041050

IUPAC1,3-dimethyl-3-(methylsulfanylmethyl)azetidine
SMILESCSCC1(C)CN(C)C1
InChIInChI=1S/C7H15NS/c1-7(6-9-3)4-8(2)5-7/h4-6H2,1-3H3
InChIKeyUKVNJYVRGMGCCJ-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.30
Rot. Bonds2

About 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine

1,3-dimethyl-3-(methylsulfanylmethyl)azetidine (PubChem CID 21041050) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine.

Molecular Properties

Compound Name1,3-dimethyl-3-(methylsulfanylmethyl)azetidine
PubChem CID21041050
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1,3-dimethyl-3-(methylsulfanylmethyl)azetidine
SMILESCSCC1(C)CN(C)C1
InChIInChI=1S/C7H15NS/c1-7(6-9-3)4-8(2)5-7/h4-6H2,1-3H3
InChIKeyUKVNJYVRGMGCCJ-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine?
The IUPAC name of 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine (CID 21041050) is 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine.
What is the SMILES notation for 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine?
The canonical SMILES for 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine is CSCC1(C)CN(C)C1.
What is the InChIKey of 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine?
The InChIKey is UKVNJYVRGMGCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(6-9-3)4-8(2)5-7/h4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine?
1,3-dimethyl-3-(methylsulfanylmethyl)azetidine has a molecular weight of 145.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-(methylsulfanylmethyl)azetidine is sourced from PubChem (CID 21041050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).