5-(2-amino-4-methylsulfonylanilino)piperidin-2-one

C12H17N3O3S — CID 63663672

IUPAC5-(2-amino-4-methylsulfonylanilino)piperidin-2-one
SMILESCS(=O)(=O)c1ccc(NC2CCC(=O)NC2)c(N)c1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)9-3-4-11(10(13)6-9)15-8-2-5-12(16)14-7-8/h3-4,6,8,15H,2,5,7,13H2,1H3,(H,14,16)
InChIKeyZDARBVJJCYZPQW-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.36
Rot. Bonds3

About 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one

5-(2-amino-4-methylsulfonylanilino)piperidin-2-one (PubChem CID 63663672) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(2-amino-4-methylsulfonylanilino)piperidin-2-one
PubChem CID63663672
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name5-(2-amino-4-methylsulfonylanilino)piperidin-2-one
SMILESCS(=O)(=O)c1ccc(NC2CCC(=O)NC2)c(N)c1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)9-3-4-11(10(13)6-9)15-8-2-5-12(16)14-7-8/h3-4,6,8,15H,2,5,7,13H2,1H3,(H,14,16)
InChIKeyZDARBVJJCYZPQW-UHFFFAOYSA-N
XLogP0.36
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one?
The IUPAC name of 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one (CID 63663672) is 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one.
What is the SMILES notation for 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one?
The canonical SMILES for 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one is CS(=O)(=O)c1ccc(NC2CCC(=O)NC2)c(N)c1.
What is the InChIKey of 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one?
The InChIKey is ZDARBVJJCYZPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-19(17,18)9-3-4-11(10(13)6-9)15-8-2-5-12(16)14-7-8/h3-4,6,8,15H,2,5,7,13H2,1H3,(H,14,16).
What are the key properties of 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one?
5-(2-amino-4-methylsulfonylanilino)piperidin-2-one has a molecular weight of 283.35 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-methylsulfonylanilino)piperidin-2-one is sourced from PubChem (CID 63663672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).