N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide

C6H12N4O3S — CID 83096029

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)C(C)C)n1
InChIInChI=1S/C6H12N4O3S/c1-4(2)14(11,12)10-5-7-6(13-3)9-8-5/h4H,1-3H3,(H2,7,8,9,10)
InChIKeyQPDOYSBGNOESNI-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.04
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide (PubChem CID 83096029) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide
PubChem CID83096029
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)C(C)C)n1
InChIInChI=1S/C6H12N4O3S/c1-4(2)14(11,12)10-5-7-6(13-3)9-8-5/h4H,1-3H3,(H2,7,8,9,10)
InChIKeyQPDOYSBGNOESNI-UHFFFAOYSA-N
XLogP-0.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide (CID 83096029) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide is COc1n[nH]c(NS(=O)(=O)C(C)C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide?
The InChIKey is QPDOYSBGNOESNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c1-4(2)14(11,12)10-5-7-6(13-3)9-8-5/h4H,1-3H3,(H2,7,8,9,10).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide has a molecular weight of 220.25 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide is sourced from PubChem (CID 83096029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).