4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid

C11H21NO4S — CID 28773824

IUPAC4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-9-5-3-6-10(2)12(9)17(15,16)8-4-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10+
InChIKeyZMAWDXMHNGVOSX-AOOOYVTPSA-N
MW263.36 g/mol
LogP1.44
Rot. Bonds5

About 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid

4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid (PubChem CID 28773824) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid
PubChem CID28773824
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-9-5-3-6-10(2)12(9)17(15,16)8-4-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10+
InChIKeyZMAWDXMHNGVOSX-AOOOYVTPSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid (CID 28773824) is 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid?
The InChIKey is ZMAWDXMHNGVOSX-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9-5-3-6-10(2)12(9)17(15,16)8-4-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid?
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylbutanoic acid is sourced from PubChem (CID 28773824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).