4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid

C10H19NO4S — CID 28513458

IUPAC4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid
SMILESCC1CCN(S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C10H19NO4S/c1-9-4-6-11(7-5-9)16(14,15)8-2-3-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyIWMFDRHHNGXHDH-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid

4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid (PubChem CID 28513458) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid
PubChem CID28513458
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid
SMILESCC1CCN(S(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C10H19NO4S/c1-9-4-6-11(7-5-9)16(14,15)8-2-3-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyIWMFDRHHNGXHDH-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid (CID 28513458) is 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid is CC1CCN(S(=O)(=O)CCCC(=O)O)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid?
The InChIKey is IWMFDRHHNGXHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-9-4-6-11(7-5-9)16(14,15)8-2-3-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid?
4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonylbutanoic acid is sourced from PubChem (CID 28513458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).