1-ethylsulfonyl-3-(2-methylpropyl)azetidine

C9H19NO2S — CID 166560576

IUPAC1-ethylsulfonyl-3-(2-methylpropyl)azetidine
SMILESCCS(=O)(=O)N1CC(CC(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-4-13(11,12)10-6-9(7-10)5-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyVJJBGUHEDGLYSK-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.31
Rot. Bonds4

About 1-ethylsulfonyl-3-(2-methylpropyl)azetidine

1-ethylsulfonyl-3-(2-methylpropyl)azetidine (PubChem CID 166560576) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-(2-methylpropyl)azetidine
PubChem CID166560576
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-ethylsulfonyl-3-(2-methylpropyl)azetidine
SMILESCCS(=O)(=O)N1CC(CC(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-4-13(11,12)10-6-9(7-10)5-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyVJJBGUHEDGLYSK-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-(2-methylpropyl)azetidine?
The IUPAC name of 1-ethylsulfonyl-3-(2-methylpropyl)azetidine (CID 166560576) is 1-ethylsulfonyl-3-(2-methylpropyl)azetidine.
What is the SMILES notation for 1-ethylsulfonyl-3-(2-methylpropyl)azetidine?
The canonical SMILES for 1-ethylsulfonyl-3-(2-methylpropyl)azetidine is CCS(=O)(=O)N1CC(CC(C)C)C1.
What is the InChIKey of 1-ethylsulfonyl-3-(2-methylpropyl)azetidine?
The InChIKey is VJJBGUHEDGLYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-13(11,12)10-6-9(7-10)5-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-3-(2-methylpropyl)azetidine?
1-ethylsulfonyl-3-(2-methylpropyl)azetidine has a molecular weight of 205.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-(2-methylpropyl)azetidine is sourced from PubChem (CID 166560576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).