2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide

C11H14N4O2S2 — CID 106092583

IUPAC2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCc1ccncn1
InChIInChI=1S/C11H14N4O2S2/c1-12-7-10-11(3-5-18-10)19(16,17)15-6-9-2-4-13-8-14-9/h2-5,8,12,15H,6-7H2,1H3
InChIKeyCAUHHZZNSCEJTA-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.74
Rot. Bonds6

About 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide

2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106092583) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID106092583
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCc1ccncn1
InChIInChI=1S/C11H14N4O2S2/c1-12-7-10-11(3-5-18-10)19(16,17)15-6-9-2-4-13-8-14-9/h2-5,8,12,15H,6-7H2,1H3
InChIKeyCAUHHZZNSCEJTA-UHFFFAOYSA-N
XLogP0.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-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

2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106378067
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 114142231
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753
4-chloro-3-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092537
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
N-[(2,4-difluorophenyl)methyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055204
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
CID 115522943

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide (CID 106092583) is 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCc1ccncn1.
What is the InChIKey of 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is CAUHHZZNSCEJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-12-7-10-11(3-5-18-10)19(16,17)15-6-9-2-4-13-8-14-9/h2-5,8,12,15H,6-7H2,1H3.
What are the key properties of 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide?
2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106092583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).