1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid

C12H22N2O5S — CID 43172829

IUPAC1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)N2CCCC(C(=O)O)C2)CC(C)O1
InChIInChI=1S/C12H22N2O5S/c1-9-6-14(7-10(2)19-9)20(17,18)13-5-3-4-11(8-13)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyGWYGYHNVGPKHMS-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.14
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid

1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 43172829) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID43172829
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)N2CCCC(C(=O)O)C2)CC(C)O1
InChIInChI=1S/C12H22N2O5S/c1-9-6-14(7-10(2)19-9)20(17,18)13-5-3-4-11(8-13)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyGWYGYHNVGPKHMS-UHFFFAOYSA-N
XLogP0.14
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid (CID 43172829) is 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid is CC1CN(S(=O)(=O)N2CCCC(C(=O)O)C2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is GWYGYHNVGPKHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-9-6-14(7-10(2)19-9)20(17,18)13-5-3-4-11(8-13)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 43172829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).