1-(cyclopropylmethylsulfonyl)azetidine

C7H13NO2S — CID 66749232

IUPAC1-(cyclopropylmethylsulfonyl)azetidine
SMILESO=S(=O)(CC1CC1)N1CCC1
InChIInChI=1S/C7H13NO2S/c9-11(10,6-7-2-3-7)8-4-1-5-8/h7H,1-6H2
InChIKeyPNIYFESNGGAMQZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.43
Rot. Bonds3

About 1-(cyclopropylmethylsulfonyl)azetidine

1-(cyclopropylmethylsulfonyl)azetidine (PubChem CID 66749232) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)azetidine.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)azetidine
PubChem CID66749232
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-(cyclopropylmethylsulfonyl)azetidine
SMILESO=S(=O)(CC1CC1)N1CCC1
InChIInChI=1S/C7H13NO2S/c9-11(10,6-7-2-3-7)8-4-1-5-8/h7H,1-6H2
InChIKeyPNIYFESNGGAMQZ-UHFFFAOYSA-N
XLogP0.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)azetidine?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)azetidine (CID 66749232) is 1-(cyclopropylmethylsulfonyl)azetidine.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)azetidine?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)azetidine is O=S(=O)(CC1CC1)N1CCC1.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)azetidine?
The InChIKey is PNIYFESNGGAMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-11(10,6-7-2-3-7)8-4-1-5-8/h7H,1-6H2.
What are the key properties of 1-(cyclopropylmethylsulfonyl)azetidine?
1-(cyclopropylmethylsulfonyl)azetidine has a molecular weight of 175.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)azetidine is sourced from PubChem (CID 66749232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).