3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid

C10H20N2O4S — CID 43585169

IUPAC3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid
SMILESCC(C)N1CCN(S(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-9(2)11-4-6-12(7-5-11)17(15,16)8-3-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyLTDYNPLDTFIRCS-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.18
Rot. Bonds5

About 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid

3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid (PubChem CID 43585169) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid
PubChem CID43585169
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid
SMILESCC(C)N1CCN(S(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-9(2)11-4-6-12(7-5-11)17(15,16)8-3-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyLTDYNPLDTFIRCS-UHFFFAOYSA-N
XLogP-0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid (CID 43585169) is 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid is CC(C)N1CCN(S(=O)(=O)CCC(=O)O)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid?
The InChIKey is LTDYNPLDTFIRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(2)11-4-6-12(7-5-11)17(15,16)8-3-10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid?
3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 43585169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).