4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid

C13H18N2O4S — CID 63125638

IUPAC4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H18N2O4S/c1-2-13(12(16)17)5-8-15(9-6-13)20(18,19)11-4-3-7-14-10-11/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyRXCQEEOCXASLJW-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.35
Rot. Bonds4

About 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid

4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid (PubChem CID 63125638) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
PubChem CID63125638
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C13H18N2O4S/c1-2-13(12(16)17)5-8-15(9-6-13)20(18,19)11-4-3-7-14-10-11/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyRXCQEEOCXASLJW-UHFFFAOYSA-N
XLogP1.35
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 63125722
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125671
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63877172
3-fluoro-1-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529795
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid (CID 63125638) is 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is RXCQEEOCXASLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-13(12(16)17)5-8-15(9-6-13)20(18,19)11-4-3-7-14-10-11/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid?
4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).