1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid

C12H24N2O5S — CID 61039163

IUPAC1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC(C)N(CCCO)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H24N2O5S/c1-10(2)13(8-5-9-15)20(18,19)14-7-4-3-6-11(14)12(16)17/h10-11,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyLQCLOEADDICZPS-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.26
Rot. Bonds7

About 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid

1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 61039163) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID61039163
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Name1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCC(C)N(CCCO)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H24N2O5S/c1-10(2)13(8-5-9-15)20(18,19)14-7-4-3-6-11(14)12(16)17/h10-11,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyLQCLOEADDICZPS-UHFFFAOYSA-N
XLogP0.26
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 63396547
N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 43136957
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid
CID 102865081
1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857926
N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide
CID 61066384

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid (CID 61039163) is 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid is CC(C)N(CCCO)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is LQCLOEADDICZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-10(2)13(8-5-9-15)20(18,19)14-7-4-3-6-11(14)12(16)17/h10-11,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid?
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61039163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).