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

C8H15N5O3S — CID 61132863

IUPACN-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNS(=O)(=O)CCCNC(=O)CCn1cncn1
InChIInChI=1S/C8H15N5O3S/c9-17(15,16)5-1-3-11-8(14)2-4-13-7-10-6-12-13/h6-7H,1-5H2,(H,11,14)(H2,9,15,16)
InChIKeyYGIYXWBVURVMTD-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.54
Rot. Bonds7

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

N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 61132863) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID61132863
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNS(=O)(=O)CCCNC(=O)CCn1cncn1
InChIInChI=1S/C8H15N5O3S/c9-17(15,16)5-1-3-11-8(14)2-4-13-7-10-6-12-13/h6-7H,1-5H2,(H,11,14)(H2,9,15,16)
InChIKeyYGIYXWBVURVMTD-UHFFFAOYSA-N
XLogP-1.54
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.54
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-[(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-(2-tert-butyl-1,2,4-triazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 128302628
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-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61130858
N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61131298
N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61132734

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 61132863) is N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide is NS(=O)(=O)CCCNC(=O)CCn1cncn1.
What is the InChIKey of N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is YGIYXWBVURVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c9-17(15,16)5-1-3-11-8(14)2-4-13-7-10-6-12-13/h6-7H,1-5H2,(H,11,14)(H2,9,15,16).
What are the key properties of N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 261.31 g/mol, XLogP of -1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 61132863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).