4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one

C11H15N3O4S — CID 43257198

IUPAC4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one
SMILESCOc1cc(N)ccc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H15N3O4S/c1-18-9-6-8(12)2-3-10(9)19(16,17)14-5-4-13-11(15)7-14/h2-3,6H,4-5,7,12H2,1H3,(H,13,15)
InChIKeyXYSCRSVNKIMYBV-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.60
Rot. Bonds3

About 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one

4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one (PubChem CID 43257198) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one
PubChem CID43257198
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one
SMILESCOc1cc(N)ccc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H15N3O4S/c1-18-9-6-8(12)2-3-10(9)19(16,17)14-5-4-13-11(15)7-14/h2-3,6H,4-5,7,12H2,1H3,(H,13,15)
InChIKeyXYSCRSVNKIMYBV-UHFFFAOYSA-N
XLogP-0.60
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 43255788
1-(5-amino-2-methoxyphenyl)sulfonyl-1,4-diazepan-5-one
CID 62056952
4-(4-amino-2-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63596125
4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 65202086
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]imidazolidin-2-one
CID 81206716
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,4-diazepan-5-one
CID 110727945
3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390417
4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one
CID 54888933
5-amino-2-[(3-oxo-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 65360997
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-3-methoxyaniline
CID 63604874
4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
CID 60814377

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one (CID 43257198) is 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one is COc1cc(N)ccc1S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one?
The InChIKey is XYSCRSVNKIMYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-18-9-6-8(12)2-3-10(9)19(16,17)14-5-4-13-11(15)7-14/h2-3,6H,4-5,7,12H2,1H3,(H,13,15).
What are the key properties of 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one?
4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one has a molecular weight of 285.32 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 43257198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).