1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine

C13H25NO2S — CID 167076662

IUPAC1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine
SMILESCCC(C(C)C)C1CN(S(=O)(=O)C2CCC2)C1
InChIInChI=1S/C13H25NO2S/c1-4-13(10(2)3)11-8-14(9-11)17(15,16)12-6-5-7-12/h10-13H,4-9H2,1-3H3
InChIKeyUNDBWBGQODPQMH-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.48
Rot. Bonds5

About 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine

1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine (PubChem CID 167076662) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine.

Molecular Properties

Compound Name1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine
PubChem CID167076662
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine
SMILESCCC(C(C)C)C1CN(S(=O)(=O)C2CCC2)C1
InChIInChI=1S/C13H25NO2S/c1-4-13(10(2)3)11-8-14(9-11)17(15,16)12-6-5-7-12/h10-13H,4-9H2,1-3H3
InChIKeyUNDBWBGQODPQMH-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine?
The IUPAC name of 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine (CID 167076662) is 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine.
What is the SMILES notation for 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine?
The canonical SMILES for 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine is CCC(C(C)C)C1CN(S(=O)(=O)C2CCC2)C1.
What is the InChIKey of 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine?
The InChIKey is UNDBWBGQODPQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-4-13(10(2)3)11-8-14(9-11)17(15,16)12-6-5-7-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine?
1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine has a molecular weight of 259.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylsulfonyl-3-(2-methylpentan-3-yl)azetidine is sourced from PubChem (CID 167076662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).