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

C8H15N5O3S — CID 61131298

IUPACN-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCCS(N)(=O)=O)n1cncn1
InChIInChI=1S/C8H15N5O3S/c1-7(13-6-10-5-12-13)8(14)11-3-2-4-17(9,15)16/h5-7H,2-4H2,1H3,(H,11,14)(H2,9,15,16)
InChIKeyJRBSXXUAWZUUGF-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.37
Rot. Bonds6

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

N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 61131298) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID61131298
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC NameN-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCCS(N)(=O)=O)n1cncn1
InChIInChI=1S/C8H15N5O3S/c1-7(13-6-10-5-12-13)8(14)11-3-2-4-17(9,15)16/h5-7H,2-4H2,1H3,(H,11,14)(H2,9,15,16)
InChIKeyJRBSXXUAWZUUGF-UHFFFAOYSA-N
XLogP-1.37
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.37
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)-3-(1,2,4-triazol-1-yl)propanamide
CID 53529437
2-Acetamido-4-methanesulfonyl-N-(4H-1,2,4-triazol-3-YL)butanamide
CID 4255992
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
4-Methylsulfonyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoic acid
CID 43211267
2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46957626
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47036551
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47162051
1-(4-Methylsulfonylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 47187150
N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 47937369
1-(4-Ethylsulfonylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 49618652
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 51081103

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 61131298) is N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCCCS(N)(=O)=O)n1cncn1.
What is the InChIKey of N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JRBSXXUAWZUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-7(13-6-10-5-12-13)8(14)11-3-2-4-17(9,15)16/h5-7H,2-4H2,1H3,(H,11,14)(H2,9,15,16).
What are the key properties of N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 261.31 g/mol, XLogP of -1.37, 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)propanamide is sourced from PubChem (CID 61131298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).