2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine

C8H15NO2S — CID 158746629

IUPAC2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine
SMILESC=C1CCN1CS(=O)(=O)C(C)C
InChIInChI=1S/C8H15NO2S/c1-7(2)12(10,11)6-9-5-4-8(9)3/h7H,3-6H2,1-2H3
InChIKeySSNQQTHKXSRAHC-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.99
Rot. Bonds3

About 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine

2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine (PubChem CID 158746629) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine
PubChem CID158746629
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine
SMILESC=C1CCN1CS(=O)(=O)C(C)C
InChIInChI=1S/C8H15NO2S/c1-7(2)12(10,11)6-9-5-4-8(9)3/h7H,3-6H2,1-2H3
InChIKeySSNQQTHKXSRAHC-UHFFFAOYSA-N
XLogP0.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine?
The IUPAC name of 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine (CID 158746629) is 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine.
What is the SMILES notation for 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine?
The canonical SMILES for 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine is C=C1CCN1CS(=O)(=O)C(C)C.
What is the InChIKey of 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine?
The InChIKey is SSNQQTHKXSRAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(2)12(10,11)6-9-5-4-8(9)3/h7H,3-6H2,1-2H3.
What are the key properties of 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine?
2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine has a molecular weight of 189.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-(propan-2-ylsulfonylmethyl)azetidine is sourced from PubChem (CID 158746629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).