[4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine

C14H16N2OS — CID 71197469

IUPAC[4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine
SMILESNCc1ccc(S(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C14H16N2OS/c15-9-11-1-5-13(6-2-11)18(17)14-7-3-12(10-16)4-8-14/h1-8H,9-10,15-16H2
InChIKeySPVGJMZXYFWKNO-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.77
Rot. Bonds4

About [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine

[4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine (PubChem CID 71197469) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine
PubChem CID71197469
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name[4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine
SMILESNCc1ccc(S(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C14H16N2OS/c15-9-11-1-5-13(6-2-11)18(17)14-7-3-12(10-16)4-8-14/h1-8H,9-10,15-16H2
InChIKeySPVGJMZXYFWKNO-UHFFFAOYSA-N
XLogP1.77
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine 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-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine?
The IUPAC name of [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine (CID 71197469) is [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine.
What is the SMILES notation for [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine?
The canonical SMILES for [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine is NCc1ccc(S(=O)c2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine?
The InChIKey is SPVGJMZXYFWKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-9-11-1-5-13(6-2-11)18(17)14-7-3-12(10-16)4-8-14/h1-8H,9-10,15-16H2.
What are the key properties of [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine?
[4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)phenyl]sulfinylphenyl]methanamine is sourced from PubChem (CID 71197469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).