1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid

C8H15NO5S — CID 130861327

IUPAC1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid
SMILESCCS(=O)(=O)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C8H15NO5S/c1-2-15(13,14)9-5-3-4-8(12,6-9)7(10)11/h12H,2-6H2,1H3,(H,10,11)
InChIKeyGPHGZYMRVSAXJR-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.75
Rot. Bonds3

About 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid

1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid (PubChem CID 130861327) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid
PubChem CID130861327
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid
SMILESCCS(=O)(=O)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C8H15NO5S/c1-2-15(13,14)9-5-3-4-8(12,6-9)7(10)11/h12H,2-6H2,1H3,(H,10,11)
InChIKeyGPHGZYMRVSAXJR-UHFFFAOYSA-N
XLogP-0.75
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)ethylsulfonyl]-3-hydroxypiperidine-3-carboxylic acid
CID 138014607
3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
CID 63136190
1-(2-methylsulfonylethylsulfonyl)-3-propylpiperidine-3-carboxylic acid
CID 63245394
1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 64987808
1-ethylsulfonyl-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 136548750
1-(2-ethoxyethylsulfonyl)-3-ethylpiperidine-3-carboxylic acid
CID 55176044
1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136135
1-(chloromethylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
CID 130640047
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 82838547
(3R)-1-butylsulfonyl-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97112561
1-(methylsulfonylmethylsulfonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 82838688

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid (CID 130861327) is 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid is CCS(=O)(=O)N1CCCC(O)(C(=O)O)C1.
What is the InChIKey of 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid?
The InChIKey is GPHGZYMRVSAXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-2-15(13,14)9-5-3-4-8(12,6-9)7(10)11/h12H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid?
1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 130861327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).