4-(methylaminomethyl)benzenesulfinamide

C8H12N2OS — CID 142522563

IUPAC4-(methylaminomethyl)benzenesulfinamide
SMILESCNCc1ccc(S(N)=O)cc1
InChIInChI=1S/C8H12N2OS/c1-10-6-7-2-4-8(5-3-7)12(9)11/h2-5,10H,6,9H2,1H3
InChIKeyLWIMPTXWRNXESZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.39
Rot. Bonds3

About 4-(methylaminomethyl)benzenesulfinamide

4-(methylaminomethyl)benzenesulfinamide (PubChem CID 142522563) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(methylaminomethyl)benzenesulfinamide.

Molecular Properties

Compound Name4-(methylaminomethyl)benzenesulfinamide
PubChem CID142522563
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-(methylaminomethyl)benzenesulfinamide
SMILESCNCc1ccc(S(N)=O)cc1
InChIInChI=1S/C8H12N2OS/c1-10-6-7-2-4-8(5-3-7)12(9)11/h2-5,10H,6,9H2,1H3
InChIKeyLWIMPTXWRNXESZ-UHFFFAOYSA-N
XLogP0.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(methylaminomethyl)benzenesulfinamide 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)benzenesulfinamide?
The IUPAC name of 4-(methylaminomethyl)benzenesulfinamide (CID 142522563) is 4-(methylaminomethyl)benzenesulfinamide.
What is the SMILES notation for 4-(methylaminomethyl)benzenesulfinamide?
The canonical SMILES for 4-(methylaminomethyl)benzenesulfinamide is CNCc1ccc(S(N)=O)cc1.
What is the InChIKey of 4-(methylaminomethyl)benzenesulfinamide?
The InChIKey is LWIMPTXWRNXESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-6-7-2-4-8(5-3-7)12(9)11/h2-5,10H,6,9H2,1H3.
What are the key properties of 4-(methylaminomethyl)benzenesulfinamide?
4-(methylaminomethyl)benzenesulfinamide has a molecular weight of 184.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)benzenesulfinamide is sourced from PubChem (CID 142522563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).