3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione

C10H14N4O4S — CID 66075775

IUPAC3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione
SMILESCc1[nH]ncc1S(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H14N4O4S/c1-6-7(4-11-13-6)19(17,18)14-5-8(15)12-9(16)10(14,2)3/h4H,5H2,1-3H3,(H,11,13)(H,12,15,16)
InChIKeyFVEJMHWPNQROEZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.86
Rot. Bonds2

About 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione

3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione (PubChem CID 66075775) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione
PubChem CID66075775
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione
SMILESCc1[nH]ncc1S(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H14N4O4S/c1-6-7(4-11-13-6)19(17,18)14-5-8(15)12-9(16)10(14,2)3/h4H,5H2,1-3H3,(H,11,13)(H,12,15,16)
InChIKeyFVEJMHWPNQROEZ-UHFFFAOYSA-N
XLogP-0.86
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione (CID 66075775) is 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione is Cc1[nH]ncc1S(=O)(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione?
The InChIKey is FVEJMHWPNQROEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-6-7(4-11-13-6)19(17,18)14-5-8(15)12-9(16)10(14,2)3/h4H,5H2,1-3H3,(H,11,13)(H,12,15,16).
What are the key properties of 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione?
3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione has a molecular weight of 286.31 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine-2,6-dione is sourced from PubChem (CID 66075775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).