3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid

C12H23NO5S — CID 86283115

IUPAC3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C12H23NO5S/c1-10(2)19(16,17)13-7-4-5-12(9-13,11(14)15)6-8-18-3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyNTRLZXZYBCWQOP-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.93
Rot. Bonds6

About 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid

3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 86283115) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID86283115
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Name3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C12H23NO5S/c1-10(2)19(16,17)13-7-4-5-12(9-13,11(14)15)6-8-18-3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyNTRLZXZYBCWQOP-UHFFFAOYSA-N
XLogP0.93
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
(3R)-3-(2-methoxyethyl)-1-(4-methylpiperazin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 97131494
(3R)-1-butylsulfonyl-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97112561
3-(2-methoxyethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxylic acid
CID 72922447
3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 114814574
3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
CID 63136190
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
(3R)-3-(2-methoxyethyl)-1-(3-methoxypyrazin-2-yl)piperidine-3-carboxylic acid
CID 97128634
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 72855120

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid (CID 86283115) is 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is NTRLZXZYBCWQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-10(2)19(16,17)13-7-4-5-12(9-13,11(14)15)6-8-18-3/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 293.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 86283115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).