1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid

C11H22N2O5S — CID 122105789

IUPAC1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCCN(C)S(=O)(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-9-6-10(11(14)15)8-13(7-9)19(16,17)12(2)4-5-18-3/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyCTLUOULDADNNON-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.15
Rot. Bonds6

About 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122105789) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122105789
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCCN(C)S(=O)(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-9-6-10(11(14)15)8-13(7-9)19(16,17)12(2)4-5-18-3/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyCTLUOULDADNNON-UHFFFAOYSA-N
XLogP-0.15
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyethoxy)ethylsulfonyl]-5-methylpiperidine-3-carboxylic acid
CID 122105820
1-[2-cyanopropyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122106114
1-[4-(2-methoxyethyl)phenyl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105655
2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide
CID 47090039
1-(3-methoxy-2,2-dimethyl-3-oxopropyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106138
1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105832
5-methyl-1-(3-methyl-3-methylsulfonylbutyl)sulfonylpiperidine-3-carboxylic acid
CID 122106216
N-(2-aminoethyl)-1-[2-methoxyethyl(methyl)sulfamoyl]piperidine-3-carboxamide;hydrochloride
CID 119971399
(3aS,6aR)-2-[2-methoxyethyl(methyl)sulfamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679601
1-(2,6-dimethylmorpholin-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105624
1-[3-(methoxymethyl)phenyl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105911
N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
CID 61252200

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122105789) is 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid is COCCN(C)S(=O)(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is CTLUOULDADNNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-9-6-10(11(14)15)8-13(7-9)19(16,17)12(2)4-5-18-3/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of -0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122105789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).