3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid

C11H21NO4S — CID 63136014

IUPAC3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C11H21NO4S/c1-4-11(10(13)14)6-5-7-12(8-11)17(15,16)9(2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyYUYXYLSEYNKHEK-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds4

About 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid

3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 63136014) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID63136014
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C11H21NO4S/c1-4-11(10(13)14)6-5-7-12(8-11)17(15,16)9(2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyYUYXYLSEYNKHEK-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyethyl)-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 86283115
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
3-ethyl-1-(2-methoxyethylsulfonyl)piperidine-3-carboxylic acid
CID 63136190
1-(2-ethoxyethylsulfonyl)-3-ethylpiperidine-3-carboxylic acid
CID 55176044
3-ethyl-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 114814574
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068729
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
CID 65069025
3-ethyl-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79369133
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
1-butylsulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149529
1-(2-methylsulfonylethylsulfonyl)-3-propylpiperidine-3-carboxylic acid
CID 63245394

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid (CID 63136014) is 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is YUYXYLSEYNKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-4-11(10(13)14)6-5-7-12(8-11)17(15,16)9(2)3/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid?
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).