2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid

C10H14N4O5S — CID 104709647

IUPAC2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
SMILESCn1nccc1S(=O)(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H14N4O5S/c1-13-8(2-3-12-13)20(18,19)14-5-4-11-10(17)7(14)6-9(15)16/h2-3,7H,4-6H2,1H3,(H,11,17)(H,15,16)
InChIKeyBMXOPVXAIQKJGG-UHFFFAOYSA-N
MW302.31 g/mol
LogP-1.62
Rot. Bonds4

About 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid

2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid (PubChem CID 104709647) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
PubChem CID104709647
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
SMILESCn1nccc1S(=O)(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C10H14N4O5S/c1-13-8(2-3-12-13)20(18,19)14-5-4-11-10(17)7(14)6-9(15)16/h2-3,7H,4-6H2,1H3,(H,11,17)(H,15,16)
InChIKeyBMXOPVXAIQKJGG-UHFFFAOYSA-N
XLogP-1.62
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-(2-methylpyrazol-3-yl)sulfonylpiperazin-2-one
CID 104710168
(3S)-4-(2-methylpyrazol-3-yl)sulfonyl-3-propan-2-ylpiperazin-2-one
CID 164634207
2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
CID 62034595
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
CID 103298814
2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 66756006
2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 80577422
2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid
CID 105360846
2-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperazine
CID 104710234
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 104709610
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 79595130

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid (CID 104709647) is 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid is Cn1nccc1S(=O)(=O)N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is BMXOPVXAIQKJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c1-13-8(2-3-12-13)20(18,19)14-5-4-11-10(17)7(14)6-9(15)16/h2-3,7H,4-6H2,1H3,(H,11,17)(H,15,16).
What are the key properties of 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 302.31 g/mol, XLogP of -1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 104709647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).