methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate

C7H16N2O6S — CID 107866829

IUPACmethyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate
SMILESCCC(CO)(CO)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H16N2O6S/c1-3-7(4-10,5-11)9-16(13,14)8-6(12)15-2/h9-11H,3-5H2,1-2H3,(H,8,12)
InChIKeyPJQUWVANVAPHFE-UHFFFAOYSA-N
MW256.28 g/mol
LogP-1.69
Rot. Bonds6

About methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate

methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate (PubChem CID 107866829) has the molecular formula C7H16N2O6S and a molecular weight of 256.28 g/mol. Its IUPAC name is methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate
PubChem CID107866829
Molecular FormulaC7H16N2O6S
Molecular Weight256.28 g/mol
Exact Mass256.07
IUPAC Namemethyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate
SMILESCCC(CO)(CO)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H16N2O6S/c1-3-7(4-10,5-11)9-16(13,14)8-6(12)15-2/h9-11H,3-5H2,1-2H3,(H,8,12)
InChIKeyPJQUWVANVAPHFE-UHFFFAOYSA-N
XLogP-1.69
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
CID 114464184
methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
CID 114464222
2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol
CID 107866794
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380
methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
CID 106290429
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 62521960
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate
CID 106306653
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate?
The IUPAC name of methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate (CID 107866829) is methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate?
The canonical SMILES for methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate is CCC(CO)(CO)NS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate?
The InChIKey is PJQUWVANVAPHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O6S/c1-3-7(4-10,5-11)9-16(13,14)8-6(12)15-2/h9-11H,3-5H2,1-2H3,(H,8,12).
What are the key properties of methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate?
methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate has a molecular weight of 256.28 g/mol, XLogP of -1.69, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate is sourced from PubChem (CID 107866829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).