1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid

C10H19NO4S — CID 43808023

IUPAC1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
SMILESCCS(=O)(=O)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H19NO4S/c1-2-16(14,15)7-6-11-5-3-4-9(8-11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyKIUCOZHIKVXIDL-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.22
Rot. Bonds5

About 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid

1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid (PubChem CID 43808023) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
PubChem CID43808023
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
SMILESCCS(=O)(=O)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H19NO4S/c1-2-16(14,15)7-6-11-5-3-4-9(8-11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyKIUCOZHIKVXIDL-UHFFFAOYSA-N
XLogP0.22
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
CID 104835427
1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56526123
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
CID 63847030
1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
CID 84686575
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
1-(2-ethylsulfonylethyl)azocane
CID 167779827
1-(2-cyanoethyl)piperidine-3-carboxylic acid
CID 52983711

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid (CID 43808023) is 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid is CCS(=O)(=O)CCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid?
The InChIKey is KIUCOZHIKVXIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-16(14,15)7-6-11-5-3-4-9(8-11)10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid?
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43808023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).