4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

C9H13N5O2S2 — CID 106013512

IUPAC4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C9H13N5O2S2/c1-10-3-7-2-9(17-5-7)18(15,16)13-4-8-11-6-12-14-8/h2,5-6,10,13H,3-4H2,1H3,(H,11,12,14)
InChIKeyLMODRYYRCPDOPT-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.06
Rot. Bonds6

About 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106013512) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
PubChem CID106013512
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC Name4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C9H13N5O2S2/c1-10-3-7-2-9(17-5-7)18(15,16)13-4-8-11-6-12-14-8/h2,5-6,10,13H,3-4H2,1H3,(H,11,12,14)
InChIKeyLMODRYYRCPDOPT-UHFFFAOYSA-N
XLogP0.06
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)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

Related Compounds

4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006
2-chloro-5-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013219
1-[3-(methylaminomethyl)phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 106013300
4-(methylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016373
4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410707
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64518781
4-fluoro-3-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013328
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
4-methyl-3-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748428
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide (CID 106013512) is 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NCc2ncn[nH]2)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is LMODRYYRCPDOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c1-10-3-7-2-9(17-5-7)18(15,16)13-4-8-11-6-12-14-8/h2,5-6,10,13H,3-4H2,1H3,(H,11,12,14).
What are the key properties of 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106013512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).