N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide

C7H13N5O3S — CID 61130858

IUPACN-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNS(=O)(=O)CCNC(=O)CCn1cncn1
InChIInChI=1S/C7H13N5O3S/c8-16(14,15)4-2-10-7(13)1-3-12-6-9-5-11-12/h5-6H,1-4H2,(H,10,13)(H2,8,14,15)
InChIKeyBYVPIGPTQHITGK-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.93
Rot. Bonds6

About N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 61130858) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID61130858
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC NameN-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNS(=O)(=O)CCNC(=O)CCn1cncn1
InChIInChI=1S/C7H13N5O3S/c8-16(14,15)4-2-10-7(13)1-3-12-6-9-5-11-12/h5-6H,1-4H2,(H,10,13)(H2,8,14,15)
InChIKeyBYVPIGPTQHITGK-UHFFFAOYSA-N
XLogP-1.93
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47157025
N-(1,1-dioxothiolan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 53529437
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47036551
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 51081103
1-[3-(1,2,4-Triazol-1-yl)propanoyl]piperidine-3-sulfonamide
CID 60767884
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61066699
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61066852
N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61131298
N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide
CID 61132241
N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61132734
N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61132863

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 61130858) is N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide is NS(=O)(=O)CCNC(=O)CCn1cncn1.
What is the InChIKey of N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is BYVPIGPTQHITGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c8-16(14,15)4-2-10-7(13)1-3-12-6-9-5-11-12/h5-6H,1-4H2,(H,10,13)(H2,8,14,15).
What are the key properties of N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 247.28 g/mol, XLogP of -1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 61130858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).