1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid

C12H24N2O5S — CID 65105801

IUPAC1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCC(O)(CC)CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O5S/c1-3-12(17,4-2)9-13-20(18,19)14-7-5-10(6-8-14)11(15)16/h10,13,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyQAMRYVAJRLVOGK-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.17
Rot. Bonds7

About 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid

1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 65105801) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID65105801
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Name1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCC(O)(CC)CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H24N2O5S/c1-3-12(17,4-2)9-13-20(18,19)14-7-5-10(6-8-14)11(15)16/h10,13,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyQAMRYVAJRLVOGK-UHFFFAOYSA-N
XLogP0.17
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 64549713
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107216371
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid (CID 65105801) is 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid is CCC(O)(CC)CNS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is QAMRYVAJRLVOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-3-12(17,4-2)9-13-20(18,19)14-7-5-10(6-8-14)11(15)16/h10,13,17H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65105801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).