1-ethylsulfonylpiperidine-4-carboxylic acid

C8H15NO4S — CID 4962812

IUPAC1-ethylsulfonylpiperidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyFXILSJTWIHHRJV-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.13
Rot. Bonds3

About 1-ethylsulfonylpiperidine-4-carboxylic acid

1-ethylsulfonylpiperidine-4-carboxylic acid (PubChem CID 4962812) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-ethylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethylsulfonylpiperidine-4-carboxylic acid
PubChem CID4962812
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name1-ethylsulfonylpiperidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyFXILSJTWIHHRJV-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-ethylsulfonylpiperidine-4-carboxylic acid (CID 4962812) is 1-ethylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-ethylsulfonylpiperidine-4-carboxylic acid is CCS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-ethylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is FXILSJTWIHHRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-ethylsulfonylpiperidine-4-carboxylic acid?
1-ethylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 4962812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).