butyl N-(butoxycarbonylsulfamoyl)carbamate

C10H20N2O6S — CID 71414094

IUPACbutyl N-(butoxycarbonylsulfamoyl)carbamate
SMILESCCCCOC(=O)NS(=O)(=O)NC(=O)OCCCC
InChIInChI=1S/C10H20N2O6S/c1-3-5-7-17-9(13)11-19(15,16)12-10(14)18-8-6-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyWZKIGKBERCRYLM-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.28
Rot. Bonds8

About butyl N-(butoxycarbonylsulfamoyl)carbamate

butyl N-(butoxycarbonylsulfamoyl)carbamate (PubChem CID 71414094) has the molecular formula C10H20N2O6S and a molecular weight of 296.34 g/mol. Its IUPAC name is butyl N-(butoxycarbonylsulfamoyl)carbamate.

Molecular Properties

Compound Namebutyl N-(butoxycarbonylsulfamoyl)carbamate
PubChem CID71414094
Molecular FormulaC10H20N2O6S
Molecular Weight296.34 g/mol
Exact Mass296.10
IUPAC Namebutyl N-(butoxycarbonylsulfamoyl)carbamate
SMILESCCCCOC(=O)NS(=O)(=O)NC(=O)OCCCC
InChIInChI=1S/C10H20N2O6S/c1-3-5-7-17-9(13)11-19(15,16)12-10(14)18-8-6-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyWZKIGKBERCRYLM-UHFFFAOYSA-N
XLogP1.28
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl N-chlorosulfonylcarbamate
CID 55279204
butyl N-[methyl-bis(sulfanyl)-λ4-sulfanyl]sulfonylcarbamate
CID 166897347
butyl N-(phenylsulfamoyl)carbamate
CID 131732175
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582
butoxycarbonylcarbamic acid
CID 22136826
propyl N-iodosulfonylcarbamate
CID 89299512
butyl N-(2-sulfamoylethyl)carbamate
CID 151237062
2-(2-butoxycarbonylhydrazinyl)acetic acid
CID 154371551
4-(ethoxysulfonylcarbamoyloxy)butanoic acid
CID 169311807
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
butyl N-(1-aminoethyl)carbamate
CID 87930052

Frequently Asked Questions

What is the IUPAC name of butyl N-(butoxycarbonylsulfamoyl)carbamate?
The IUPAC name of butyl N-(butoxycarbonylsulfamoyl)carbamate (CID 71414094) is butyl N-(butoxycarbonylsulfamoyl)carbamate.
What is the SMILES notation for butyl N-(butoxycarbonylsulfamoyl)carbamate?
The canonical SMILES for butyl N-(butoxycarbonylsulfamoyl)carbamate is CCCCOC(=O)NS(=O)(=O)NC(=O)OCCCC.
What is the InChIKey of butyl N-(butoxycarbonylsulfamoyl)carbamate?
The InChIKey is WZKIGKBERCRYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-3-5-7-17-9(13)11-19(15,16)12-10(14)18-8-6-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of butyl N-(butoxycarbonylsulfamoyl)carbamate?
butyl N-(butoxycarbonylsulfamoyl)carbamate has a molecular weight of 296.34 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(butoxycarbonylsulfamoyl)carbamate is sourced from PubChem (CID 71414094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).