ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine

C11H20N2S — CID 144618243

IUPACethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine
SMILESCC.CNCc1ccc(SNC)cc1
InChIInChI=1S/C9H14N2S.C2H6/c1-10-7-8-3-5-9(6-4-8)12-11-2;1-2/h3-6,10-11H,7H2,1-2H3;1-2H3
InChIKeyDICLEGXVNCTZHG-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.66
Rot. Bonds4

About ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine

ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine (PubChem CID 144618243) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine
PubChem CID144618243
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Nameethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine
SMILESCC.CNCc1ccc(SNC)cc1
InChIInChI=1S/C9H14N2S.C2H6/c1-10-7-8-3-5-9(6-4-8)12-11-2;1-2/h3-6,10-11H,7H2,1-2H3;1-2H3
InChIKeyDICLEGXVNCTZHG-UHFFFAOYSA-N
XLogP2.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]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 ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine?
The IUPAC name of ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine (CID 144618243) is ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine.
What is the SMILES notation for ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine?
The canonical SMILES for ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine is CC.CNCc1ccc(SNC)cc1.
What is the InChIKey of ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine?
The InChIKey is DICLEGXVNCTZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.C2H6/c1-10-7-8-3-5-9(6-4-8)12-11-2;1-2/h3-6,10-11H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine?
ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine has a molecular weight of 212.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[4-(methylaminosulfanyl)phenyl]methanamine is sourced from PubChem (CID 144618243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).