4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

C9H11N5O2S2 — CID 106082088

IUPAC4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2nccnn2)c1
InChIInChI=1S/C9H11N5O2S2/c1-10-5-7-4-8(17-6-7)18(15,16)14-9-11-2-3-12-13-9/h2-4,6,10H,5H2,1H3,(H,11,13,14)
InChIKeyGHZRYLALICQFKE-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.45
Rot. Bonds5

About 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide

4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (PubChem CID 106082088) has the molecular formula C9H11N5O2S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
PubChem CID106082088
Molecular FormulaC9H11N5O2S2
Molecular Weight285.35 g/mol
Exact Mass285.04
IUPAC Name4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2nccnn2)c1
InChIInChI=1S/C9H11N5O2S2/c1-10-5-7-4-8(17-6-7)18(15,16)14-9-11-2-3-12-13-9/h2-4,6,10H,5H2,1H3,(H,11,13,14)
InChIKeyGHZRYLALICQFKE-UHFFFAOYSA-N
XLogP0.45
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-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 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide (CID 106082088) is 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)Nc2nccnn2)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is GHZRYLALICQFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S2/c1-10-5-7-4-8(17-6-7)18(15,16)14-9-11-2-3-12-13-9/h2-4,6,10H,5H2,1H3,(H,11,13,14).
What are the key properties of 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 285.35 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106082088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).