5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one

C11H22N2O3S — CID 79355040

IUPAC5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one
SMILESCCS(=O)(=O)CCCN1CC(N)C(C)CC1=O
InChIInChI=1S/C11H22N2O3S/c1-3-17(15,16)6-4-5-13-8-10(12)9(2)7-11(13)14/h9-10H,3-8,12H2,1-2H3
InChIKeyOUIBQOCXKZWLNH-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.01
Rot. Bonds5

About 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one

5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one (PubChem CID 79355040) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one
PubChem CID79355040
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one
SMILESCCS(=O)(=O)CCCN1CC(N)C(C)CC1=O
InChIInChI=1S/C11H22N2O3S/c1-3-17(15,16)6-4-5-13-8-10(12)9(2)7-11(13)14/h9-10H,3-8,12H2,1-2H3
InChIKeyOUIBQOCXKZWLNH-UHFFFAOYSA-N
XLogP0.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one?
The IUPAC name of 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one (CID 79355040) is 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one.
What is the SMILES notation for 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one?
The canonical SMILES for 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one is CCS(=O)(=O)CCCN1CC(N)C(C)CC1=O.
What is the InChIKey of 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one?
The InChIKey is OUIBQOCXKZWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-17(15,16)6-4-5-13-8-10(12)9(2)7-11(13)14/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one?
5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one has a molecular weight of 262.37 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one is sourced from PubChem (CID 79355040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).