3-butan-2-yl-1-ethylsulfonylazetidine

C9H19NO2S — CID 167076521

IUPAC3-butan-2-yl-1-ethylsulfonylazetidine
SMILESCCC(C)C1CN(S(=O)(=O)CC)C1
InChIInChI=1S/C9H19NO2S/c1-4-8(3)9-6-10(7-9)13(11,12)5-2/h8-9H,4-7H2,1-3H3
InChIKeyASUPFHAURYGICC-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.31
Rot. Bonds4

About 3-butan-2-yl-1-ethylsulfonylazetidine

3-butan-2-yl-1-ethylsulfonylazetidine (PubChem CID 167076521) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-butan-2-yl-1-ethylsulfonylazetidine.

Molecular Properties

Compound Name3-butan-2-yl-1-ethylsulfonylazetidine
PubChem CID167076521
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-butan-2-yl-1-ethylsulfonylazetidine
SMILESCCC(C)C1CN(S(=O)(=O)CC)C1
InChIInChI=1S/C9H19NO2S/c1-4-8(3)9-6-10(7-9)13(11,12)5-2/h8-9H,4-7H2,1-3H3
InChIKeyASUPFHAURYGICC-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 3-butan-2-yl-1-ethylsulfonylazetidine?
The IUPAC name of 3-butan-2-yl-1-ethylsulfonylazetidine (CID 167076521) is 3-butan-2-yl-1-ethylsulfonylazetidine.
What is the SMILES notation for 3-butan-2-yl-1-ethylsulfonylazetidine?
The canonical SMILES for 3-butan-2-yl-1-ethylsulfonylazetidine is CCC(C)C1CN(S(=O)(=O)CC)C1.
What is the InChIKey of 3-butan-2-yl-1-ethylsulfonylazetidine?
The InChIKey is ASUPFHAURYGICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-8(3)9-6-10(7-9)13(11,12)5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-ethylsulfonylazetidine?
3-butan-2-yl-1-ethylsulfonylazetidine 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 3-butan-2-yl-1-ethylsulfonylazetidine is sourced from PubChem (CID 167076521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).