propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate

C8H18N2O5S — CID 106843918

IUPACpropan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCCCO
InChIInChI=1S/C8H18N2O5S/c1-7(2)15-8(12)10-16(13,14)9-5-3-4-6-11/h7,9,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyXQVKJGQCXIWPLG-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.27
Rot. Bonds7

About propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate

propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate (PubChem CID 106843918) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate
PubChem CID106843918
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Namepropan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCCCO
InChIInChI=1S/C8H18N2O5S/c1-7(2)15-8(12)10-16(13,14)9-5-3-4-6-11/h7,9,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyXQVKJGQCXIWPLG-UHFFFAOYSA-N
XLogP-0.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate?
The IUPAC name of propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate (CID 106843918) is propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate?
The canonical SMILES for propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate is CC(C)OC(=O)NS(=O)(=O)NCCCCO.
What is the InChIKey of propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate?
The InChIKey is XQVKJGQCXIWPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-7(2)15-8(12)10-16(13,14)9-5-3-4-6-11/h7,9,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate?
propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate has a molecular weight of 254.31 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-hydroxybutylsulfamoyl)carbamate is sourced from PubChem (CID 106843918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).