1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid

C11H21NO4S — CID 104835427

IUPAC1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
SMILESCC(C)S(=O)(=O)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO4S/c1-9(2)17(15,16)7-6-12-5-3-4-10(8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyNZYQLYUJSSNQHB-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.61
Rot. Bonds5

About 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid

1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid (PubChem CID 104835427) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
PubChem CID104835427
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
SMILESCC(C)S(=O)(=O)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO4S/c1-9(2)17(15,16)7-6-12-5-3-4-10(8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyNZYQLYUJSSNQHB-UHFFFAOYSA-N
XLogP0.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
1-(2-propan-2-ylsulfonylethyl)piperidine-3,4-dicarboxylic acid
CID 106727684
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
CID 63847030
1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine
CID 106721523
(3S,4R)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-3,4-diol
CID 103738839
3-bromo-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731131
1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
CID 84686575
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 106725815

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid (CID 104835427) is 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid is CC(C)S(=O)(=O)CCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid?
The InChIKey is NZYQLYUJSSNQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)17(15,16)7-6-12-5-3-4-10(8-12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid?
1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104835427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).