butyl N-(2-sulfamoylethyl)carbamate

C7H16N2O4S — CID 151237062

IUPACbutyl N-(2-sulfamoylethyl)carbamate
SMILESCCCCOC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-2-3-5-13-7(10)9-4-6-14(8,11)12/h2-6H2,1H3,(H,9,10)(H2,8,11,12)
InChIKeyNPMRPUHRBJBTCS-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.20
Rot. Bonds6

About butyl N-(2-sulfamoylethyl)carbamate

butyl N-(2-sulfamoylethyl)carbamate (PubChem CID 151237062) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is butyl N-(2-sulfamoylethyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-sulfamoylethyl)carbamate
PubChem CID151237062
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Namebutyl N-(2-sulfamoylethyl)carbamate
SMILESCCCCOC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-2-3-5-13-7(10)9-4-6-14(8,11)12/h2-6H2,1H3,(H,9,10)(H2,8,11,12)
InChIKeyNPMRPUHRBJBTCS-UHFFFAOYSA-N
XLogP-0.20
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl N-butylcarbamate;molecular hydrogen
CID 142164887
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
octadecyl N-propylcarbamate
CID 175015942
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
butyl N-[2-(pentanoylamino)ethyl]carbamate
CID 108573829
butyl N-(butoxycarbonylsulfamoyl)carbamate
CID 71414094
azane;octyl N-octylcarbamate
CID 175531380
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550

Frequently Asked Questions

What is the IUPAC name of butyl N-(2-sulfamoylethyl)carbamate?
The IUPAC name of butyl N-(2-sulfamoylethyl)carbamate (CID 151237062) is butyl N-(2-sulfamoylethyl)carbamate.
What is the SMILES notation for butyl N-(2-sulfamoylethyl)carbamate?
The canonical SMILES for butyl N-(2-sulfamoylethyl)carbamate is CCCCOC(=O)NCCS(N)(=O)=O.
What is the InChIKey of butyl N-(2-sulfamoylethyl)carbamate?
The InChIKey is NPMRPUHRBJBTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-2-3-5-13-7(10)9-4-6-14(8,11)12/h2-6H2,1H3,(H,9,10)(H2,8,11,12).
What are the key properties of butyl N-(2-sulfamoylethyl)carbamate?
butyl N-(2-sulfamoylethyl)carbamate has a molecular weight of 224.28 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-sulfamoylethyl)carbamate is sourced from PubChem (CID 151237062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).