4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid

C11H21NO4S — CID 43209548

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid
SMILESCC1CC(C)CN(S(=O)(=O)CCCC(=O)O)C1
InChIInChI=1S/C11H21NO4S/c1-9-6-10(2)8-12(7-9)17(15,16)5-3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyYRGRFRXZPGXSPQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.16
Rot. Bonds5

About 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid

4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid (PubChem CID 43209548) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid
PubChem CID43209548
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid
SMILESCC1CC(C)CN(S(=O)(=O)CCCC(=O)O)C1
InChIInChI=1S/C11H21NO4S/c1-9-6-10(2)8-12(7-9)17(15,16)5-3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyYRGRFRXZPGXSPQ-UHFFFAOYSA-N
XLogP1.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid (CID 43209548) is 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid is CC1CC(C)CN(S(=O)(=O)CCCC(=O)O)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid?
The InChIKey is YRGRFRXZPGXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9-6-10(2)8-12(7-9)17(15,16)5-3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid?
4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonylbutanoic acid is sourced from PubChem (CID 43209548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).