4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione

C11H15N5O4S — CID 66076187

IUPAC4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1S(=O)(=O)c1cccnc1NN
InChIInChI=1S/C11H15N5O4S/c1-11(2)10(18)14-8(17)6-16(11)21(19,20)7-4-3-5-13-9(7)15-12/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,17,18)
InChIKeyHOKYVXYYDCRBLH-UHFFFAOYSA-N
MW313.34 g/mol
LogP-1.21
Rot. Bonds3

About 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione

4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66076187) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66076187
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC Name4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1S(=O)(=O)c1cccnc1NN
InChIInChI=1S/C11H15N5O4S/c1-11(2)10(18)14-8(17)6-16(11)21(19,20)7-4-3-5-13-9(7)15-12/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,17,18)
InChIKeyHOKYVXYYDCRBLH-UHFFFAOYSA-N
XLogP-1.21
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione 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-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]-3,3-dimethylpiperazine-2,6-dione
CID 106594670
4-(2-chlorophenyl)sulfonyl-3,3-dimethylpiperazine-2,6-dione
CID 66073842
[3-(4-methylsulfonylpiperazin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 62992566
3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione
CID 66075775
1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
CID 106670062
3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]sulfonyl]piperazine-2,6-dione
CID 66068068
3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione
CID 104710181
4-(4-amino-2-bromophenyl)sulfonyl-3,3-dimethylpiperazine-2,6-dione
CID 66074922
4-(2-amino-4-chlorophenyl)sulfonyl-3,3-dimethylpiperazine-2,6-dione
CID 66076080
[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-pyridinyl]hydrazine
CID 93051505
4-(2-chloropyrimidin-5-yl)sulfonyl-3,3-dimethylpiperazine-2,6-dione
CID 66074418
4-[(6-chloro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074222

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione (CID 66076187) is 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1S(=O)(=O)c1cccnc1NN.
What is the InChIKey of 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is HOKYVXYYDCRBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-11(2)10(18)14-8(17)6-16(11)21(19,20)7-4-3-5-13-9(7)15-12/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,17,18).
What are the key properties of 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione?
4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 313.34 g/mol, XLogP of -1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66076187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).