3-(2-methylpropylsulfanyl)azetidine

C7H15NS — CID 62784262

IUPAC3-(2-methylpropylsulfanyl)azetidine
SMILESCC(C)CSC1CNC1
InChIInChI=1S/C7H15NS/c1-6(2)5-9-7-3-8-4-7/h6-8H,3-5H2,1-2H3
InChIKeyOIFOUXZMBJYCLO-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.35
Rot. Bonds3

About 3-(2-methylpropylsulfanyl)azetidine

3-(2-methylpropylsulfanyl)azetidine (PubChem CID 62784262) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-(2-methylpropylsulfanyl)azetidine.

Molecular Properties

Compound Name3-(2-methylpropylsulfanyl)azetidine
PubChem CID62784262
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-(2-methylpropylsulfanyl)azetidine
SMILESCC(C)CSC1CNC1
InChIInChI=1S/C7H15NS/c1-6(2)5-9-7-3-8-4-7/h6-8H,3-5H2,1-2H3
InChIKeyOIFOUXZMBJYCLO-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfanyl)azetidine?
The IUPAC name of 3-(2-methylpropylsulfanyl)azetidine (CID 62784262) is 3-(2-methylpropylsulfanyl)azetidine.
What is the SMILES notation for 3-(2-methylpropylsulfanyl)azetidine?
The canonical SMILES for 3-(2-methylpropylsulfanyl)azetidine is CC(C)CSC1CNC1.
What is the InChIKey of 3-(2-methylpropylsulfanyl)azetidine?
The InChIKey is OIFOUXZMBJYCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)5-9-7-3-8-4-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropylsulfanyl)azetidine?
3-(2-methylpropylsulfanyl)azetidine has a molecular weight of 145.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfanyl)azetidine is sourced from PubChem (CID 62784262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).