ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate

C6H11N5O4S — CID 114464548

IUPACethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C6H11N5O4S/c1-3-15-6(12)11-16(13,14)10-5-7-4(2)8-9-5/h3H2,1-2H3,(H,11,12)(H2,7,8,9,10)
InChIKeySPJWQAJXCNVSII-UHFFFAOYSA-N
MW249.25 g/mol
LogP-0.48
Rot. Bonds4

About ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate

ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate (PubChem CID 114464548) has the molecular formula C6H11N5O4S and a molecular weight of 249.25 g/mol. Its IUPAC name is ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate
PubChem CID114464548
Molecular FormulaC6H11N5O4S
Molecular Weight249.25 g/mol
Exact Mass249.05
IUPAC Nameethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C6H11N5O4S/c1-3-15-6(12)11-16(13,14)10-5-7-4(2)8-9-5/h3H2,1-2H3,(H,11,12)(H2,7,8,9,10)
InChIKeySPJWQAJXCNVSII-UHFFFAOYSA-N
XLogP-0.48
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate (CID 114464548) is ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1n[nH]c(C)n1.
What is the InChIKey of ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate?
The InChIKey is SPJWQAJXCNVSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O4S/c1-3-15-6(12)11-16(13,14)10-5-7-4(2)8-9-5/h3H2,1-2H3,(H,11,12)(H2,7,8,9,10).
What are the key properties of ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate?
ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate has a molecular weight of 249.25 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]carbamate is sourced from PubChem (CID 114464548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).