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

C12H22N2O5S — CID 60858298

IUPAC1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1(C)CN(S(=O)(=O)N2CCCC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H22N2O5S/c1-12(2)9-14(6-7-19-12)20(17,18)13-5-3-4-10(8-13)11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyFPYJVZONYPBQRE-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.14
Rot. Bonds3

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

1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 60858298) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID60858298
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCC1(C)CN(S(=O)(=O)N2CCCC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H22N2O5S/c1-12(2)9-14(6-7-19-12)20(17,18)13-5-3-4-10(8-13)11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyFPYJVZONYPBQRE-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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Related Compounds

(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 66392901
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)piperidine-3-carboxylic acid
CID 60950372
1-(1,4-thiazepan-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 61419208
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
(3S)-1-tert-butylsulfonylpiperidine-3-carboxylic acid
CID 81126424

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid (CID 60858298) is 1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid is CC1(C)CN(S(=O)(=O)N2CCCC(C(=O)O)C2)CCO1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is FPYJVZONYPBQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-12(2)9-14(6-7-19-12)20(17,18)13-5-3-4-10(8-13)11(15)16/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
1-(2,2-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-(2,2-dimethylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 60858298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).