N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine

C10H15NS — CID 12612618

IUPACN,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCSc1ccccc1CN(C)C
InChIInChI=1S/C10H15NS/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4-7H,8H2,1-3H3
InChIKeyVYSIQYBPPMVBMG-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.47
Rot. Bonds3

About N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine

N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine (PubChem CID 12612618) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine
PubChem CID12612618
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCSc1ccccc1CN(C)C
InChIInChI=1S/C10H15NS/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4-7H,8H2,1-3H3
InChIKeyVYSIQYBPPMVBMG-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-(2-methylsulfanylphenyl)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 N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine (CID 12612618) is N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine is CSc1ccccc1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine?
The InChIKey is VYSIQYBPPMVBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine?
N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine has a molecular weight of 181.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 12612618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).