4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one

C13H19N3O4S — CID 81441158

IUPAC4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
SMILESCOc1cc(S(=O)(=O)N2CCNC(=O)C2(C)C)ccc1N
InChIInChI=1S/C13H19N3O4S/c1-13(2)12(17)15-6-7-16(13)21(18,19)9-4-5-10(14)11(8-9)20-3/h4-5,8H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyAPNZEHKORQPYNZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.18
Rot. Bonds3

About 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one

4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one (PubChem CID 81441158) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
PubChem CID81441158
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
SMILESCOc1cc(S(=O)(=O)N2CCNC(=O)C2(C)C)ccc1N
InChIInChI=1S/C13H19N3O4S/c1-13(2)12(17)15-6-7-16(13)21(18,19)9-4-5-10(14)11(8-9)20-3/h4-5,8H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyAPNZEHKORQPYNZ-UHFFFAOYSA-N
XLogP0.18
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-amino-4-fluorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63594928
4-(4-amino-2-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63596125
4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one
CID 63601777
4-(4-bromo-3-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607782
4-(2-amino-4-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63594591
4-(3,5-dichlorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607088
4-[3-(1-hydroxyethyl)phenyl]sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607121
4-(4-methoxy-2-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 110708016
4-(5-amino-2,4-difluorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63595442
5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614462
1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106667237
2-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 81438019

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one (CID 81441158) is 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one is COc1cc(S(=O)(=O)N2CCNC(=O)C2(C)C)ccc1N.
What is the InChIKey of 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one?
The InChIKey is APNZEHKORQPYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-13(2)12(17)15-6-7-16(13)21(18,19)9-4-5-10(14)11(8-9)20-3/h4-5,8H,6-7,14H2,1-3H3,(H,15,17).
What are the key properties of 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one?
4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one has a molecular weight of 313.38 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 81441158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).