3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid

C11H22N2O4S — CID 43172961

IUPAC3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CC(C)CN(S(=O)(=O)NC(C)CC(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-8-4-9(2)7-13(6-8)18(16,17)12-10(3)5-11(14)15/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyPXNVDMKUZXTJLI-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.66
Rot. Bonds5

About 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid

3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 43172961) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID43172961
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CC(C)CN(S(=O)(=O)NC(C)CC(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-8-4-9(2)7-13(6-8)18(16,17)12-10(3)5-11(14)15/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyPXNVDMKUZXTJLI-UHFFFAOYSA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid (CID 43172961) is 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid is CC1CC(C)CN(S(=O)(=O)NC(C)CC(=O)O)C1.
What is the InChIKey of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is PXNVDMKUZXTJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-8-4-9(2)7-13(6-8)18(16,17)12-10(3)5-11(14)15/h8-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid?
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43172961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).