1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid

C14H23NO4S — CID 62657428

IUPAC1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CS(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H23NO4S/c16-13(10-20(19)12-4-2-1-3-5-12)15-8-6-11(7-9-15)14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyIUEAPDWIVWZHDG-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.39
Rot. Bonds4

About 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid

1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid (PubChem CID 62657428) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid
PubChem CID62657428
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CS(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H23NO4S/c16-13(10-20(19)12-4-2-1-3-5-12)15-8-6-11(7-9-15)14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyIUEAPDWIVWZHDG-UHFFFAOYSA-N
XLogP1.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopentylsulfinylacetyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 75381738
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
3-(2-oxo-2-piperidin-1-ylethyl)sulfinylcyclohexan-1-one
CID 114236355
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
1-[2-(oxolan-2-ylmethylsulfinyl)acetyl]piperidine-4-carboxylic acid
CID 106495178
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
CID 122508236
1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid
CID 138480085
piperidine-1,4-dicarboxylic acid
CID 18542445
1-pent-4-ynoylpiperidine-4-carboxylic acid
CID 103840880
2-(4-aminooxan-3-yl)sulfinyl-1-piperidin-1-ylethanone
CID 114236221

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid (CID 62657428) is 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CS(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid?
The InChIKey is IUEAPDWIVWZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c16-13(10-20(19)12-4-2-1-3-5-12)15-8-6-11(7-9-15)14(17)18/h11-12H,1-10H2,(H,17,18).
What are the key properties of 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid?
1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylsulfinylacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 62657428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).