4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one

C11H16N4O3S — CID 63601777

IUPAC4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C11H16N4O3S/c1-11(2)10(16)14-5-6-15(11)19(17,18)8-3-4-13-9(12)7-8/h3-4,7H,5-6H2,1-2H3,(H2,12,13)(H,14,16)
InChIKeyGFTZQJXFONRNNL-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.44
Rot. Bonds2

About 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one

4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63601777) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one
PubChem CID63601777
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)c1ccnc(N)c1
InChIInChI=1S/C11H16N4O3S/c1-11(2)10(16)14-5-6-15(11)19(17,18)8-3-4-13-9(12)7-8/h3-4,7H,5-6H2,1-2H3,(H2,12,13)(H,14,16)
InChIKeyGFTZQJXFONRNNL-UHFFFAOYSA-N
XLogP-0.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-amino-3-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 81441158
4-(3-amino-4-fluorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63594928
4-(4-bromo-3-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63607782
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
5-(2,2-dimethyl-3-oxopiperazin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614462
4-(2-amino-4-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63594591
4-(5-amino-2,4-difluorophenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63595442
4-(4-amino-2-methoxyphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63596125
4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 79901572
4-(5-chloro-2-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 63606748
3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]sulfonyl]piperazine-2,6-dione
CID 66068068

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one (CID 63601777) is 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1S(=O)(=O)c1ccnc(N)c1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is GFTZQJXFONRNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-11(2)10(16)14-5-6-15(11)19(17,18)8-3-4-13-9(12)7-8/h3-4,7H,5-6H2,1-2H3,(H2,12,13)(H,14,16).
What are the key properties of 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one?
4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 284.34 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63601777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).