N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide

C13H16N2O2S2 — CID 56824124

IUPACN-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNCc2ccsc2)c1
InChIInChI=1S/C13H16N2O2S2/c1-14-19(16,17)13-4-2-3-11(7-13)8-15-9-12-5-6-18-10-12/h2-7,10,14-15H,8-9H2,1H3
InChIKeyVDFVLIHSWGNRRV-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.95
Rot. Bonds6

About N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide

N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide (PubChem CID 56824124) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide
PubChem CID56824124
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNCc2ccsc2)c1
InChIInChI=1S/C13H16N2O2S2/c1-14-19(16,17)13-4-2-3-11(7-13)8-15-9-12-5-6-18-10-12/h2-7,10,14-15H,8-9H2,1H3
InChIKeyVDFVLIHSWGNRRV-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide 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-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide (CID 56824124) is N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide is CNS(=O)(=O)c1cccc(CNCc2ccsc2)c1.
What is the InChIKey of N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide?
The InChIKey is VDFVLIHSWGNRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-14-19(16,17)13-4-2-3-11(7-13)8-15-9-12-5-6-18-10-12/h2-7,10,14-15H,8-9H2,1H3.
What are the key properties of N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide?
N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(thiophen-3-ylmethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 56824124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).