ethyl N-(4-hydroxybutylsulfamoyl)carbamate

C7H16N2O5S — CID 106844003

IUPACethyl N-(4-hydroxybutylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCCCO
InChIInChI=1S/C7H16N2O5S/c1-2-14-7(11)9-15(12,13)8-5-3-4-6-10/h8,10H,2-6H2,1H3,(H,9,11)
InChIKeyYKMPUIGNXMDCCG-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.66
Rot. Bonds7

About ethyl N-(4-hydroxybutylsulfamoyl)carbamate

ethyl N-(4-hydroxybutylsulfamoyl)carbamate (PubChem CID 106844003) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is ethyl N-(4-hydroxybutylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-hydroxybutylsulfamoyl)carbamate
PubChem CID106844003
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Nameethyl N-(4-hydroxybutylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCCCO
InChIInChI=1S/C7H16N2O5S/c1-2-14-7(11)9-15(12,13)8-5-3-4-6-10/h8,10H,2-6H2,1H3,(H,9,11)
InChIKeyYKMPUIGNXMDCCG-UHFFFAOYSA-N
XLogP-0.66
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.66
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 ethyl N-(4-hydroxybutylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(4-hydroxybutylsulfamoyl)carbamate (CID 106844003) is ethyl N-(4-hydroxybutylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(4-hydroxybutylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(4-hydroxybutylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)NCCCCO.
What is the InChIKey of ethyl N-(4-hydroxybutylsulfamoyl)carbamate?
The InChIKey is YKMPUIGNXMDCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-2-14-7(11)9-15(12,13)8-5-3-4-6-10/h8,10H,2-6H2,1H3,(H,9,11).
What are the key properties of ethyl N-(4-hydroxybutylsulfamoyl)carbamate?
ethyl N-(4-hydroxybutylsulfamoyl)carbamate has a molecular weight of 240.28 g/mol, XLogP of -0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-hydroxybutylsulfamoyl)carbamate is sourced from PubChem (CID 106844003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).