N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide

C6H11N5O3S — CID 61066852

IUPACN-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNS(=O)(=O)CCNC(=O)Cn1cncn1
InChIInChI=1S/C6H11N5O3S/c7-15(13,14)2-1-9-6(12)3-11-5-8-4-10-11/h4-5H,1-3H2,(H,9,12)(H2,7,13,14)
InChIKeyVGFIECZBIMGFNW-UHFFFAOYSA-N
MW233.25 g/mol
LogP-2.32
Rot. Bonds5

About N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 61066852) has the molecular formula C6H11N5O3S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID61066852
Molecular FormulaC6H11N5O3S
Molecular Weight233.25 g/mol
Exact Mass233.06
IUPAC NameN-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNS(=O)(=O)CCNC(=O)Cn1cncn1
InChIInChI=1S/C6H11N5O3S/c7-15(13,14)2-1-9-6(12)3-11-5-8-4-10-11/h4-5H,1-3H2,(H,9,12)(H2,7,13,14)
InChIKeyVGFIECZBIMGFNW-UHFFFAOYSA-N
XLogP-2.32
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-2.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47036551
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 54901519
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 54901713
2-(3-Amino-1,2,4-triazol-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 54902133
N-(2-aminoethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 60965326
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 61016534
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
2-[[2-(3-Amino-1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 61016822
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61066699
2-(3-Amino-1,2,4-triazol-1-yl)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 61108807
N-(2-sulfamoylethyl)-2-(tetrazol-1-yl)acetamide
CID 61130292
N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61130858

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 61066852) is N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide is NS(=O)(=O)CCNC(=O)Cn1cncn1.
What is the InChIKey of N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is VGFIECZBIMGFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3S/c7-15(13,14)2-1-9-6(12)3-11-5-8-4-10-11/h4-5H,1-3H2,(H,9,12)(H2,7,13,14).
What are the key properties of N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 233.25 g/mol, XLogP of -2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 61066852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).