2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid

C10H20N2O4S — CID 55135343

IUPAC2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid
SMILESCC(C)(C)N1CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)11-4-6-12(7-5-11)17(15,16)8-9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyKHOJSOQWGFKNIZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.18
Rot. Bonds3

About 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid

2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid (PubChem CID 55135343) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid
PubChem CID55135343
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid
SMILESCC(C)(C)N1CCN(S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)11-4-6-12(7-5-11)17(15,16)8-9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyKHOJSOQWGFKNIZ-UHFFFAOYSA-N
XLogP-0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid (CID 55135343) is 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid is CC(C)(C)N1CCN(S(=O)(=O)CC(=O)O)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid?
The InChIKey is KHOJSOQWGFKNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,3)11-4-6-12(7-5-11)17(15,16)8-9(13)14/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid?
2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid has a molecular weight of 264.35 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 55135343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).