1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid

C10H20N2O7S — CID 107848198

IUPAC1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NC(CO)(CO)CO)C1
InChIInChI=1S/C10H20N2O7S/c13-5-10(6-14,7-15)11-20(18,19)12-3-1-2-8(4-12)9(16)17/h8,11,13-15H,1-7H2,(H,16,17)
InChIKeyOAWPKMZJRKAGJV-UHFFFAOYSA-N
MW312.34 g/mol
LogP-2.67
Rot. Bonds7

About 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid

1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 107848198) has the molecular formula C10H20N2O7S and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
PubChem CID107848198
Molecular FormulaC10H20N2O7S
Molecular Weight312.34 g/mol
Exact Mass312.10
IUPAC Name1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NC(CO)(CO)CO)C1
InChIInChI=1S/C10H20N2O7S/c13-5-10(6-14,7-15)11-20(18,19)12-3-1-2-8(4-12)9(16)17/h8,11,13-15H,1-7H2,(H,16,17)
InChIKeyOAWPKMZJRKAGJV-UHFFFAOYSA-N
XLogP-2.67
TPSA147.40 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858440
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide
CID 107848008
1-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]piperidine-3-carboxylic acid
CID 106359331
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60858591
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534

Frequently Asked Questions

What is the IUPAC name of 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid (CID 107848198) is 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NC(CO)(CO)CO)C1.
What is the InChIKey of 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is OAWPKMZJRKAGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O7S/c13-5-10(6-14,7-15)11-20(18,19)12-3-1-2-8(4-12)9(16)17/h8,11,13-15H,1-7H2,(H,16,17).
What are the key properties of 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid?
1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 312.34 g/mol, XLogP of -2.67, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 107848198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).