methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate

C8H18N2O5S — CID 114464184

IUPACmethyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
SMILESCCC(CC)(CO)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H18N2O5S/c1-4-8(5-2,6-11)10-16(13,14)9-7(12)15-3/h10-11H,4-6H2,1-3H3,(H,9,12)
InChIKeyYVYAXJJPNHHMMP-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.27
Rot. Bonds6

About methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate

methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate (PubChem CID 114464184) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
PubChem CID114464184
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Namemethyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
SMILESCCC(CC)(CO)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H18N2O5S/c1-4-8(5-2,6-11)10-16(13,14)9-7(12)15-3/h10-11H,4-6H2,1-3H3,(H,9,12)
InChIKeyYVYAXJJPNHHMMP-UHFFFAOYSA-N
XLogP-0.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate
CID 107866829
methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
CID 114464222
2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol
CID 107866794
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 62521960
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380
methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
CID 106290429
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-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate?
The IUPAC name of methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate (CID 114464184) is methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate.
What is the SMILES notation for methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate?
The canonical SMILES for methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate is CCC(CC)(CO)NS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate?
The InChIKey is YVYAXJJPNHHMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-4-8(5-2,6-11)10-16(13,14)9-7(12)15-3/h10-11H,4-6H2,1-3H3,(H,9,12).
What are the key properties of methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate?
methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate has a molecular weight of 254.31 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate is sourced from PubChem (CID 114464184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).