1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid

C11H22N2O6S — CID 107864789

IUPAC1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
SMILESCCC(CO)(CO)NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O6S/c1-2-11(7-14,8-15)12-20(18,19)13-6-4-3-5-9(13)10(16)17/h9,12,14-15H,2-8H2,1H3,(H,16,17)
InChIKeyDMJGWZVJIQSSNE-UHFFFAOYSA-N
MW310.37 g/mol
LogP-1.11
Rot. Bonds7

About 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid

1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 107864789) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
PubChem CID107864789
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
SMILESCCC(CO)(CO)NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H22N2O6S/c1-2-11(7-14,8-15)12-20(18,19)13-6-4-3-5-9(13)10(16)17/h9,12,14-15H,2-8H2,1H3,(H,16,17)
InChIKeyDMJGWZVJIQSSNE-UHFFFAOYSA-N
XLogP-1.11
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-(2,4,4-trimethylpentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859421
1-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]piperidine-2-carboxylic acid
CID 107215422
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859071
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
1-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79561600
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
CID 114533609

Frequently Asked Questions

What is the IUPAC name of 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid (CID 107864789) is 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid is CCC(CO)(CO)NS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is DMJGWZVJIQSSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S/c1-2-11(7-14,8-15)12-20(18,19)13-6-4-3-5-9(13)10(16)17/h9,12,14-15H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid?
1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 310.37 g/mol, XLogP of -1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107864789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).