1-cyclobutyl-5-ethylsulfonylpentan-2-amine

C11H23NO2S — CID 103168764

IUPAC1-cyclobutyl-5-ethylsulfonylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)CC1CCC1
InChIInChI=1S/C11H23NO2S/c1-2-15(13,14)8-4-7-11(12)9-10-5-3-6-10/h10-11H,2-9,12H2,1H3
InChIKeyHYLZYCFHDHYQPS-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.72
Rot. Bonds7

About 1-cyclobutyl-5-ethylsulfonylpentan-2-amine

1-cyclobutyl-5-ethylsulfonylpentan-2-amine (PubChem CID 103168764) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-cyclobutyl-5-ethylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-5-ethylsulfonylpentan-2-amine
PubChem CID103168764
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-cyclobutyl-5-ethylsulfonylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)CC1CCC1
InChIInChI=1S/C11H23NO2S/c1-2-15(13,14)8-4-7-11(12)9-10-5-3-6-10/h10-11H,2-9,12H2,1H3
InChIKeyHYLZYCFHDHYQPS-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-ethylsulfonylpentan-2-amine?
The IUPAC name of 1-cyclobutyl-5-ethylsulfonylpentan-2-amine (CID 103168764) is 1-cyclobutyl-5-ethylsulfonylpentan-2-amine.
What is the SMILES notation for 1-cyclobutyl-5-ethylsulfonylpentan-2-amine?
The canonical SMILES for 1-cyclobutyl-5-ethylsulfonylpentan-2-amine is CCS(=O)(=O)CCCC(N)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-5-ethylsulfonylpentan-2-amine?
The InChIKey is HYLZYCFHDHYQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-15(13,14)8-4-7-11(12)9-10-5-3-6-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-cyclobutyl-5-ethylsulfonylpentan-2-amine?
1-cyclobutyl-5-ethylsulfonylpentan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-ethylsulfonylpentan-2-amine is sourced from PubChem (CID 103168764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).