1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid

C13H24N2O5S — CID 122105624

IUPAC1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(S(=O)(=O)N2CC(C)OC(C)C2)C1
InChIInChI=1S/C13H24N2O5S/c1-9-4-12(13(16)17)8-14(5-9)21(18,19)15-6-10(2)20-11(3)7-15/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyMSKAHNSJFJDDJD-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.38
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid

1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid (PubChem CID 122105624) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
PubChem CID122105624
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(S(=O)(=O)N2CC(C)OC(C)C2)C1
InChIInChI=1S/C13H24N2O5S/c1-9-4-12(13(16)17)8-14(5-9)21(18,19)15-6-10(2)20-11(3)7-15/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyMSKAHNSJFJDDJD-UHFFFAOYSA-N
XLogP0.38
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
5-methyl-1-(2-methylpyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 122105979
(2S)-2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]propanoic acid
CID 125149387
(2R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 55150411
5-methyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylpiperidine-3-carboxylic acid
CID 122106216
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 94018098
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 94018099
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
1-(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106138
1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105581
5-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105614

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid (CID 122105624) is 1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(S(=O)(=O)N2CC(C)OC(C)C2)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid?
The InChIKey is MSKAHNSJFJDDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-9-4-12(13(16)17)8-14(5-9)21(18,19)15-6-10(2)20-11(3)7-15/h9-12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid?
1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.38, 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)sulfonyl-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122105624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).