N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide

C7H13N5O3S — CID 61132734

IUPACN-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)Cn1cncn1
InChIInChI=1S/C7H13N5O3S/c8-16(14,15)3-1-2-10-7(13)4-12-6-9-5-11-12/h5-6H,1-4H2,(H,10,13)(H2,8,14,15)
InChIKeyCXXAQFZHLKZLPL-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.93
Rot. Bonds6

About N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 61132734) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID61132734
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC NameN-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)Cn1cncn1
InChIInChI=1S/C7H13N5O3S/c8-16(14,15)3-1-2-10-7(13)4-12-6-9-5-11-12/h5-6H,1-4H2,(H,10,13)(H2,8,14,15)
InChIKeyCXXAQFZHLKZLPL-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

Computed Properties (RDKit)

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

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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-(1,1-dioxothian-4-yl)acetamide
CID 54901620
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)-N-(2-methylsulfonylethyl)acetamide
CID 61016534
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
2-(3-Amino-1,2,4-triazol-1-yl)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 61108807
2-(3-amino-1,2,4-triazol-1-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 61125953
1-[2-(1,2,4-Triazol-1-yl)acetyl]piperidine-3-sulfonamide
CID 61128287
N-(2-sulfamoylethyl)-2-(tetrazol-1-yl)acetamide
CID 61130292

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 61132734) is N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide is NS(=O)(=O)CCCNC(=O)Cn1cncn1.
What is the InChIKey of N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is CXXAQFZHLKZLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c8-16(14,15)3-1-2-10-7(13)4-12-6-9-5-11-12/h5-6H,1-4H2,(H,10,13)(H2,8,14,15).
What are the key properties of N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide 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-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 61132734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).