3-ethylsulfonyl-1-propan-2-ylazetidine

C8H17NO2S — CID 122414290

IUPAC3-ethylsulfonyl-1-propan-2-ylazetidine
SMILESCCS(=O)(=O)C1CN(C(C)C)C1
InChIInChI=1S/C8H17NO2S/c1-4-12(10,11)8-5-9(6-8)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyLJUNVOYZKJXCGP-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.51
Rot. Bonds3

About 3-ethylsulfonyl-1-propan-2-ylazetidine

3-ethylsulfonyl-1-propan-2-ylazetidine (PubChem CID 122414290) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-ethylsulfonyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-ethylsulfonyl-1-propan-2-ylazetidine
PubChem CID122414290
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-ethylsulfonyl-1-propan-2-ylazetidine
SMILESCCS(=O)(=O)C1CN(C(C)C)C1
InChIInChI=1S/C8H17NO2S/c1-4-12(10,11)8-5-9(6-8)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyLJUNVOYZKJXCGP-UHFFFAOYSA-N
XLogP0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-1-propan-2-ylazetidine?
The IUPAC name of 3-ethylsulfonyl-1-propan-2-ylazetidine (CID 122414290) is 3-ethylsulfonyl-1-propan-2-ylazetidine.
What is the SMILES notation for 3-ethylsulfonyl-1-propan-2-ylazetidine?
The canonical SMILES for 3-ethylsulfonyl-1-propan-2-ylazetidine is CCS(=O)(=O)C1CN(C(C)C)C1.
What is the InChIKey of 3-ethylsulfonyl-1-propan-2-ylazetidine?
The InChIKey is LJUNVOYZKJXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-12(10,11)8-5-9(6-8)7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-ethylsulfonyl-1-propan-2-ylazetidine?
3-ethylsulfonyl-1-propan-2-ylazetidine has a molecular weight of 191.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-1-propan-2-ylazetidine is sourced from PubChem (CID 122414290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).