2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid

C9H16N2O4S — CID 60951653

IUPAC2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C9H16N2O4S/c12-9(13)7-16(14,15)11-5-3-10(4-6-11)8-1-2-8/h8H,1-7H2,(H,12,13)
InChIKeyWQFYXORYHCNEBU-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.82
Rot. Bonds4

About 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid

2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid (PubChem CID 60951653) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid
PubChem CID60951653
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid
SMILESO=C(O)CS(=O)(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C9H16N2O4S/c12-9(13)7-16(14,15)11-5-3-10(4-6-11)8-1-2-8/h8H,1-7H2,(H,12,13)
InChIKeyWQFYXORYHCNEBU-UHFFFAOYSA-N
XLogP-0.82
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azetidin-3-yl)piperazin-1-yl]sulfonylacetic acid
CID 66202541
2-(azetidin-1-ylsulfonyl)acetic acid
CID 43440211
2-(4-methylpiperazin-1-yl)sulfonylacetic acid;hydrochloride
CID 50988500
2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid
CID 82856715
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)acetic acid
CID 66391152
2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
CID 103531325
2-(4,4-diethylpiperidin-1-yl)sulfonylacetic acid
CID 63158230
2-(4-benzoylpiperazin-1-yl)sulfonylacetic acid
CID 43173110
4-(4-methylsulfonylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 71147624
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
2-(3,3,4-trimethylpiperazin-1-yl)sulfonylacetic acid
CID 63610905

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid (CID 60951653) is 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid is O=C(O)CS(=O)(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid?
The InChIKey is WQFYXORYHCNEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c12-9(13)7-16(14,15)11-5-3-10(4-6-11)8-1-2-8/h8H,1-7H2,(H,12,13).
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid?
2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid has a molecular weight of 248.30 g/mol, XLogP of -0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 60951653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).