3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide

C13H16N2O2S2 — CID 54927107

IUPAC3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
SMILESCc1ccc(CNCc2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C13H16N2O2S2/c1-10-5-6-12(18-10)9-15-8-11-3-2-4-13(7-11)19(14,16)17/h2-7,15H,8-9H2,1H3,(H2,14,16,17)
InChIKeyVMJOJTJWHZTJBG-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.99
Rot. Bonds5

About 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide

3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide (PubChem CID 54927107) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
PubChem CID54927107
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
SMILESCc1ccc(CNCc2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C13H16N2O2S2/c1-10-5-6-12(18-10)9-15-8-11-3-2-4-13(7-11)19(14,16)17/h2-7,15H,8-9H2,1H3,(H2,14,16,17)
InChIKeyVMJOJTJWHZTJBG-UHFFFAOYSA-N
XLogP1.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(5-methylthiophen-2-yl)methylamino]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

Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 28614899
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 62055705
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-[[(5-bromothiophen-3-yl)methylamino]methyl]benzenesulfonamide
CID 54927129
3-[[(2,3-dihydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 61319103
3-[[(1-methylpyrrol-2-yl)methylamino]methyl]benzenesulfonamide
CID 62131867
3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide
CID 60859954
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide
CID 66415356
3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide
CID 64592159
3-bromo-4-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43745616

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide (CID 54927107) is 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide is Cc1ccc(CNCc2cccc(S(N)(=O)=O)c2)s1.
What is the InChIKey of 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide?
The InChIKey is VMJOJTJWHZTJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10-5-6-12(18-10)9-15-8-11-3-2-4-13(7-11)19(14,16)17/h2-7,15H,8-9H2,1H3,(H2,14,16,17).
What are the key properties of 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide?
3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 54927107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).