1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride

C10H15ClN4O4S — CID 71638752

IUPAC1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2C(=O)O)nn1.Cl
InChIInChI=1S/C10H14N4O4S.ClH/c1-7-2-3-9(13-12-7)19(17,18)14-5-4-11-6-8(14)10(15)16;/h2-3,8,11H,4-6H2,1H3,(H,15,16);1H
InChIKeyDMMUJOPETBRWCW-UHFFFAOYSA-N
MW322.77 g/mol
LogP-0.75
Rot. Bonds3

About 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride

1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride (PubChem CID 71638752) has the molecular formula C10H15ClN4O4S and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
PubChem CID71638752
Molecular FormulaC10H15ClN4O4S
Molecular Weight322.77 g/mol
Exact Mass322.05
IUPAC Name1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCNCC2C(=O)O)nn1.Cl
InChIInChI=1S/C10H14N4O4S.ClH/c1-7-2-3-9(13-12-7)19(17,18)14-5-4-11-6-8(14)10(15)16;/h2-3,8,11H,4-6H2,1H3,(H,15,16);1H
InChIKeyDMMUJOPETBRWCW-UHFFFAOYSA-N
XLogP-0.75
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 161339035
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 161339036
1-sulfamoylpiperazine-2-carboxylic acid
CID 114959379
(2S)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylic acid
CID 95862723
1-(4-bromo-2-fluorophenyl)sulfonylpiperazine-2-carboxylic acid
CID 116527916
(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine-2-carboxylic acid
CID 97166524
1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
CID 71639214
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
1-(pyridin-3-ylmethylsulfonyl)piperazine-2-carboxylic acid;hydrochloride
CID 71646376
1-(2-phenylpropylsulfonyl)piperazine-2-carboxylic acid
CID 80691983
methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
6-methyl-N-piperidin-3-ylpyridazine-3-sulfonamide
CID 71638755

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride (CID 71638752) is 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride is Cc1ccc(S(=O)(=O)N2CCNCC2C(=O)O)nn1.Cl.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride?
The InChIKey is DMMUJOPETBRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S.ClH/c1-7-2-3-9(13-12-7)19(17,18)14-5-4-11-6-8(14)10(15)16;/h2-3,8,11H,4-6H2,1H3,(H,15,16);1H.
What are the key properties of 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride?
1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride has a molecular weight of 322.77 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)sulfonylpiperazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71638752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).