1-cyclopropylsulfonylazetidine

C6H11NO2S — CID 129182362

IUPAC1-cyclopropylsulfonylazetidine
SMILESO=S(=O)(C1CC1)N1CCC1
InChIInChI=1S/C6H11NO2S/c8-10(9,6-2-3-6)7-4-1-5-7/h6H,1-5H2
InChIKeyXUHHZCVUJXBYFL-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.18
Rot. Bonds2

About 1-cyclopropylsulfonylazetidine

1-cyclopropylsulfonylazetidine (PubChem CID 129182362) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 1-cyclopropylsulfonylazetidine.

Molecular Properties

Compound Name1-cyclopropylsulfonylazetidine
PubChem CID129182362
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name1-cyclopropylsulfonylazetidine
SMILESO=S(=O)(C1CC1)N1CCC1
InChIInChI=1S/C6H11NO2S/c8-10(9,6-2-3-6)7-4-1-5-7/h6H,1-5H2
InChIKeyXUHHZCVUJXBYFL-UHFFFAOYSA-N
XLogP0.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylsulfonyl azetidine
CID 70663315
1-(Cyclopropylsulfonyl)-3,3-difluoroazetidine
CID 122269491
1-Cyclopropylsulfonyl-3-fluoro-3-methylazetidine
CID 131131845
N,N-diethylcyclopropanesulfonamide
CID 10329871
2-Propylthiazetidine 1,1-dioxide
CID 12959044
2-Ethylthiazetidine 1,1-dioxide
CID 13053018
1-(2-Methylpropylsulfonyl)azetidine
CID 58756970
N-ethyl-N-methylcyclopropanesulfonamide
CID 59254913
1-Cyclobutylsulfonylazetidine
CID 66748702
1-(Cyclopropylmethylsulfonyl)azetidine
CID 66749232
1-Cyclopropylsulfonyl-3-methylazetidine
CID 66851897
1-Propan-2-ylsulfonylazetidine
CID 90398522

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylazetidine?
The IUPAC name of 1-cyclopropylsulfonylazetidine (CID 129182362) is 1-cyclopropylsulfonylazetidine.
What is the SMILES notation for 1-cyclopropylsulfonylazetidine?
The canonical SMILES for 1-cyclopropylsulfonylazetidine is O=S(=O)(C1CC1)N1CCC1.
What is the InChIKey of 1-cyclopropylsulfonylazetidine?
The InChIKey is XUHHZCVUJXBYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-10(9,6-2-3-6)7-4-1-5-7/h6H,1-5H2.
What are the key properties of 1-cyclopropylsulfonylazetidine?
1-cyclopropylsulfonylazetidine has a molecular weight of 161.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylazetidine is sourced from PubChem (CID 129182362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).