1-cyclopropylsulfonyl-3-methylazetidine

C7H13NO2S — CID 66851897

IUPAC1-cyclopropylsulfonyl-3-methylazetidine
SMILESCC1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C7H13NO2S/c1-6-4-8(5-6)11(9,10)7-2-3-7/h6-7H,2-5H2,1H3
InChIKeyKKCWVUUXVIZRKK-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.43
Rot. Bonds2

About 1-cyclopropylsulfonyl-3-methylazetidine

1-cyclopropylsulfonyl-3-methylazetidine (PubChem CID 66851897) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-3-methylazetidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-3-methylazetidine
PubChem CID66851897
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-cyclopropylsulfonyl-3-methylazetidine
SMILESCC1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C7H13NO2S/c1-6-4-8(5-6)11(9,10)7-2-3-7/h6-7H,2-5H2,1H3
InChIKeyKKCWVUUXVIZRKK-UHFFFAOYSA-N
XLogP0.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylsulfonyl azetidine
CID 70663315
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
1-Cyclopropylsulfonyl-3-fluoro-3-methylazetidine
CID 131131845
3-Fluoro-3-methyl-1-propylsulfonylazetidine
CID 131177035
(1-Methanesulfonylazetidin-3-yl)methanesulfonyl fluoride
CID 138989252
2-Propylthiazetidine 1,1-dioxide
CID 12959044
3-Methyl-1-methylsulfonylazetidine
CID 18343034
Methylsulfonyl [1-(cyclopropylmethylsulfonyl)azetidin-3-yl]methanesulfonate
CID 57476718
1-Cyclopropylsulfonyl-3-propan-2-ylazetidine
CID 58054362
1-(2-Methylpropylsulfonyl)azetidine
CID 58756970

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-3-methylazetidine?
The IUPAC name of 1-cyclopropylsulfonyl-3-methylazetidine (CID 66851897) is 1-cyclopropylsulfonyl-3-methylazetidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-3-methylazetidine?
The canonical SMILES for 1-cyclopropylsulfonyl-3-methylazetidine is CC1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-3-methylazetidine?
The InChIKey is KKCWVUUXVIZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-6-4-8(5-6)11(9,10)7-2-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-3-methylazetidine?
1-cyclopropylsulfonyl-3-methylazetidine has a molecular weight of 175.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-3-methylazetidine is sourced from PubChem (CID 66851897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).