1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid

C11H22N2O5S — CID 66091534

IUPAC1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCC(CCO)CNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-9(4-6-14)7-12-19(17,18)13-5-2-3-10(8-13)11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16)
InChIKeyACZMOCFWTQFQBZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.36
Rot. Bonds7

About 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 66091534) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID66091534
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCC(CCO)CNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H22N2O5S/c1-9(4-6-14)7-12-19(17,18)13-5-2-3-10(8-13)11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16)
InChIKeyACZMOCFWTQFQBZ-UHFFFAOYSA-N
XLogP-0.36
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid (CID 66091534) is 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid is CC(CCO)CNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is ACZMOCFWTQFQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-9(4-6-14)7-12-19(17,18)13-5-2-3-10(8-13)11(15)16/h9-10,12,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of -0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 66091534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).