1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid

C10H20N2O5S — CID 83177957

IUPAC1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESCC(CCO)NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20N2O5S/c1-8(4-7-13)11-18(16,17)12-5-2-9(3-6-12)10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeySXZAIWVKBRPELC-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.61
Rot. Bonds6

About 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid

1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 83177957) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID83177957
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESCC(CCO)NS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20N2O5S/c1-8(4-7-13)11-18(16,17)12-5-2-9(3-6-12)10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeySXZAIWVKBRPELC-UHFFFAOYSA-N
XLogP-0.61
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79254218
1-(octan-4-ylsulfamoyl)piperidine-4-carboxylic acid
CID 106019200
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-(hex-5-yn-3-ylsulfamoyl)piperidine-4-carboxylic acid
CID 113477031
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-(1-cyanobutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 62647758
methyl 1-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 103887524
1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859129
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 28784048
(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
5-(piperidin-1-ylsulfonylamino)hexanoic acid
CID 82854421

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid (CID 83177957) is 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid is CC(CCO)NS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is SXZAIWVKBRPELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-8(4-7-13)11-18(16,17)12-5-2-9(3-6-12)10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid?
1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 83177957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).