3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione

C10H14N4O4S — CID 104710181

IUPAC3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione
SMILESCn1nccc1S(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H14N4O4S/c1-10(2)9(16)12-7(15)6-14(10)19(17,18)8-4-5-11-13(8)3/h4-5H,6H2,1-3H3,(H,12,15,16)
InChIKeyBGCPRFPCWNAACG-UHFFFAOYSA-N
MW286.31 g/mol
LogP-1.15
Rot. Bonds2

About 3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione

3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione (PubChem CID 104710181) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione
PubChem CID104710181
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione
SMILESCn1nccc1S(=O)(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H14N4O4S/c1-10(2)9(16)12-7(15)6-14(10)19(17,18)8-4-5-11-13(8)3/h4-5H,6H2,1-3H3,(H,12,15,16)
InChIKeyBGCPRFPCWNAACG-UHFFFAOYSA-N
XLogP-1.15
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione (CID 104710181) is 3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione is Cn1nccc1S(=O)(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione?
The InChIKey is BGCPRFPCWNAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c1-10(2)9(16)12-7(15)6-14(10)19(17,18)8-4-5-11-13(8)3/h4-5H,6H2,1-3H3,(H,12,15,16).
What are the key properties of 3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione?
3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione has a molecular weight of 286.31 g/mol, XLogP of -1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazine-2,6-dione is sourced from PubChem (CID 104710181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).