1-(2-methylpropylsulfonyl)azetidine

C7H15NO2S — CID 58756970

IUPAC1-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)N1CCC1
InChIInChI=1S/C7H15NO2S/c1-7(2)6-11(9,10)8-4-3-5-8/h7H,3-6H2,1-2H3
InChIKeyIQIJHTGOGMRICY-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.68
Rot. Bonds3

About 1-(2-methylpropylsulfonyl)azetidine

1-(2-methylpropylsulfonyl)azetidine (PubChem CID 58756970) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-(2-methylpropylsulfonyl)azetidine.

Molecular Properties

Compound Name1-(2-methylpropylsulfonyl)azetidine
PubChem CID58756970
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name1-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)N1CCC1
InChIInChI=1S/C7H15NO2S/c1-7(2)6-11(9,10)8-4-3-5-8/h7H,3-6H2,1-2H3
InChIKeyIQIJHTGOGMRICY-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Methylsulfonyl)azetidine
CID 232153
2-Methyl-1lambda~6~,2-thiazetidine-1,1-dione
CID 12959054
Ethylsulfonyl azetidine
CID 70663315
3,3-Difluoro-1-(isobutylsulfonyl)azetidine
CID 122269503
3-Fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
CID 130639090
3-Fluoro-3-methyl-1-(2-methylpropylsulfonyl)azetidine
CID 130657588
1-Ethylsulfonyl-3-fluoro-3-methylazetidine
CID 130991379
3-Fluoro-3-methyl-1-propylsulfonylazetidine
CID 131177035
(1-Methanesulfonylazetidin-3-yl)methanesulfonyl fluoride
CID 138989252
N,N,2-trimethylpropane-1-sulfonamide
CID 12503848
2-Propylthiazetidine 1,1-dioxide
CID 12959044
2-Propan-2-ylthiazetidine 1,1-dioxide
CID 12959057

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfonyl)azetidine?
The IUPAC name of 1-(2-methylpropylsulfonyl)azetidine (CID 58756970) is 1-(2-methylpropylsulfonyl)azetidine.
What is the SMILES notation for 1-(2-methylpropylsulfonyl)azetidine?
The canonical SMILES for 1-(2-methylpropylsulfonyl)azetidine is CC(C)CS(=O)(=O)N1CCC1.
What is the InChIKey of 1-(2-methylpropylsulfonyl)azetidine?
The InChIKey is IQIJHTGOGMRICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)6-11(9,10)8-4-3-5-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfonyl)azetidine?
1-(2-methylpropylsulfonyl)azetidine has a molecular weight of 177.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfonyl)azetidine is sourced from PubChem (CID 58756970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).