1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid

C10H19NO5S — CID 63136135

IUPAC1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCOCCS(=O)(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-10(9(12)13)4-3-5-11(8-10)17(14,15)7-6-16-2/h3-8H2,1-2H3,(H,12,13)
InChIKeyGIJYUVSSFLZYHR-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.15
Rot. Bonds5

About 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid

1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136135) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63136135
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCOCCS(=O)(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C10H19NO5S/c1-10(9(12)13)4-3-5-11(8-10)17(14,15)7-6-16-2/h3-8H2,1-2H3,(H,12,13)
InChIKeyGIJYUVSSFLZYHR-UHFFFAOYSA-N
XLogP0.15
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
CID 63136190
1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 64987808
3-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-3-carboxylic acid
CID 63247201
(3R)-1-butylsulfonyl-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97112561
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
4-ethyl-1-(2-methoxyethylsulfonyl)piperidine-4-carboxylic acid
CID 63125575
3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid
CID 63135869
1-(6-methoxy-6-oxohexyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 122071016
1-(difluoromethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136084
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
1-(2-methoxy-2-methylpropyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 122071041
1-(2-ethoxyethylsulfonyl)-3-ethylpiperidine-3-carboxylic acid
CID 55176044

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid (CID 63136135) is 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid is COCCS(=O)(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is GIJYUVSSFLZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(9(12)13)4-3-5-11(8-10)17(14,15)7-6-16-2/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid?
1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).