1-ethenylsulfonyl-3,3-dimethylazetidine

C7H13NO2S — CID 130652627

IUPAC1-ethenylsulfonyl-3,3-dimethylazetidine
SMILESC=CS(=O)(=O)N1CC(C)(C)C1
InChIInChI=1S/C7H13NO2S/c1-4-11(9,10)8-5-7(2,3)6-8/h4H,1,5-6H2,2-3H3
InChIKeyCJQRCORIRFUNCU-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.80
Rot. Bonds2

About 1-ethenylsulfonyl-3,3-dimethylazetidine

1-ethenylsulfonyl-3,3-dimethylazetidine (PubChem CID 130652627) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-ethenylsulfonyl-3,3-dimethylazetidine.

Molecular Properties

Compound Name1-ethenylsulfonyl-3,3-dimethylazetidine
PubChem CID130652627
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-ethenylsulfonyl-3,3-dimethylazetidine
SMILESC=CS(=O)(=O)N1CC(C)(C)C1
InChIInChI=1S/C7H13NO2S/c1-4-11(9,10)8-5-7(2,3)6-8/h4H,1,5-6H2,2-3H3
InChIKeyCJQRCORIRFUNCU-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-3,3-dimethylazetidine?
The IUPAC name of 1-ethenylsulfonyl-3,3-dimethylazetidine (CID 130652627) is 1-ethenylsulfonyl-3,3-dimethylazetidine.
What is the SMILES notation for 1-ethenylsulfonyl-3,3-dimethylazetidine?
The canonical SMILES for 1-ethenylsulfonyl-3,3-dimethylazetidine is C=CS(=O)(=O)N1CC(C)(C)C1.
What is the InChIKey of 1-ethenylsulfonyl-3,3-dimethylazetidine?
The InChIKey is CJQRCORIRFUNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-4-11(9,10)8-5-7(2,3)6-8/h4H,1,5-6H2,2-3H3.
What are the key properties of 1-ethenylsulfonyl-3,3-dimethylazetidine?
1-ethenylsulfonyl-3,3-dimethylazetidine has a molecular weight of 175.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-3,3-dimethylazetidine is sourced from PubChem (CID 130652627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).