methyl N-(2-azidoethylsulfamoyl)carbamate

C4H9N5O4S — CID 114466121

IUPACmethyl N-(2-azidoethylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C4H9N5O4S/c1-13-4(10)8-14(11,12)7-3-2-6-9-5/h7H,2-3H2,1H3,(H,8,10)
InChIKeyFTDOQBQSUWEKOU-UHFFFAOYSA-N
MW223.21 g/mol
LogP-0.51
Rot. Bonds5

About methyl N-(2-azidoethylsulfamoyl)carbamate

methyl N-(2-azidoethylsulfamoyl)carbamate (PubChem CID 114466121) has the molecular formula C4H9N5O4S and a molecular weight of 223.21 g/mol. Its IUPAC name is methyl N-(2-azidoethylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-azidoethylsulfamoyl)carbamate
PubChem CID114466121
Molecular FormulaC4H9N5O4S
Molecular Weight223.21 g/mol
Exact Mass223.04
IUPAC Namemethyl N-(2-azidoethylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C4H9N5O4S/c1-13-4(10)8-14(11,12)7-3-2-6-9-5/h7H,2-3H2,1H3,(H,8,10)
InChIKeyFTDOQBQSUWEKOU-UHFFFAOYSA-N
XLogP-0.51
TPSA133.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-azidoethylsulfamoyl)propan-2-amine
CID 114812616
methyl N-(4-bromobutylsulfamoyl)carbamate
CID 106846716
methyl N-(but-3-ynylsulfamoyl)carbamate
CID 114466093
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
tert-butyl 3-[2-[2-[2-(2-azidoethoxycarbonylsulfamoylamino)ethoxy]ethoxy]ethoxy]propanoate
CID 155320479
methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate
CID 106306653
5-(methoxycarbonylsulfamoylamino)-2-methylpentanoic acid
CID 114463049
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
methyl N-[2-(4-hydroxyphenyl)ethylsulfamoyl]carbamate
CID 114463964
3-[3-(2-azidoethoxycarbonylsulfamoylamino)propanoyl-(2-carboxyethyl)amino]-3-tert-butyl-4,4-dimethylpentanoic acid
CID 175529906
tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-azidoethylsulfamoyl)carbamate?
The IUPAC name of methyl N-(2-azidoethylsulfamoyl)carbamate (CID 114466121) is methyl N-(2-azidoethylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(2-azidoethylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(2-azidoethylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NCCN=[N+]=[N-].
What is the InChIKey of methyl N-(2-azidoethylsulfamoyl)carbamate?
The InChIKey is FTDOQBQSUWEKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O4S/c1-13-4(10)8-14(11,12)7-3-2-6-9-5/h7H,2-3H2,1H3,(H,8,10).
What are the key properties of methyl N-(2-azidoethylsulfamoyl)carbamate?
methyl N-(2-azidoethylsulfamoyl)carbamate has a molecular weight of 223.21 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-azidoethylsulfamoyl)carbamate is sourced from PubChem (CID 114466121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).