3,3-diethyl-2-methylsulfanylazetidine

C8H17NS — CID 54052975

IUPAC3,3-diethyl-2-methylsulfanylazetidine
SMILESCCC1(CC)CNC1SC
InChIInChI=1S/C8H17NS/c1-4-8(5-2)6-9-7(8)10-3/h7,9H,4-6H2,1-3H3
InChIKeyLUFWFMNWJZUOJC-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.09
Rot. Bonds3

About 3,3-diethyl-2-methylsulfanylazetidine

3,3-diethyl-2-methylsulfanylazetidine (PubChem CID 54052975) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3,3-diethyl-2-methylsulfanylazetidine.

Molecular Properties

Compound Name3,3-diethyl-2-methylsulfanylazetidine
PubChem CID54052975
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3,3-diethyl-2-methylsulfanylazetidine
SMILESCCC1(CC)CNC1SC
InChIInChI=1S/C8H17NS/c1-4-8(5-2)6-9-7(8)10-3/h7,9H,4-6H2,1-3H3
InChIKeyLUFWFMNWJZUOJC-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2-methylsulfanylazetidine?
The IUPAC name of 3,3-diethyl-2-methylsulfanylazetidine (CID 54052975) is 3,3-diethyl-2-methylsulfanylazetidine.
What is the SMILES notation for 3,3-diethyl-2-methylsulfanylazetidine?
The canonical SMILES for 3,3-diethyl-2-methylsulfanylazetidine is CCC1(CC)CNC1SC.
What is the InChIKey of 3,3-diethyl-2-methylsulfanylazetidine?
The InChIKey is LUFWFMNWJZUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-8(5-2)6-9-7(8)10-3/h7,9H,4-6H2,1-3H3.
What are the key properties of 3,3-diethyl-2-methylsulfanylazetidine?
3,3-diethyl-2-methylsulfanylazetidine has a molecular weight of 159.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2-methylsulfanylazetidine is sourced from PubChem (CID 54052975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).