N-methyl-1-(4-phenylsulfanylphenyl)ethenamine

C15H15NS — CID 142107249

IUPACN-methyl-1-(4-phenylsulfanylphenyl)ethenamine
SMILESC=C(NC)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C15H15NS/c1-12(16-2)13-8-10-15(11-9-13)17-14-6-4-3-5-7-14/h3-11,16H,1H2,2H3
InChIKeyOQFUSVUASIGLSF-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.03
Rot. Bonds4

About N-methyl-1-(4-phenylsulfanylphenyl)ethenamine

N-methyl-1-(4-phenylsulfanylphenyl)ethenamine (PubChem CID 142107249) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-methyl-1-(4-phenylsulfanylphenyl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(4-phenylsulfanylphenyl)ethenamine
PubChem CID142107249
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC NameN-methyl-1-(4-phenylsulfanylphenyl)ethenamine
SMILESC=C(NC)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C15H15NS/c1-12(16-2)13-8-10-15(11-9-13)17-14-6-4-3-5-7-14/h3-11,16H,1H2,2H3
InChIKeyOQFUSVUASIGLSF-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenylsulfanylphenyl)ethenamine?
The IUPAC name of N-methyl-1-(4-phenylsulfanylphenyl)ethenamine (CID 142107249) is N-methyl-1-(4-phenylsulfanylphenyl)ethenamine.
What is the SMILES notation for N-methyl-1-(4-phenylsulfanylphenyl)ethenamine?
The canonical SMILES for N-methyl-1-(4-phenylsulfanylphenyl)ethenamine is C=C(NC)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N-methyl-1-(4-phenylsulfanylphenyl)ethenamine?
The InChIKey is OQFUSVUASIGLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-12(16-2)13-8-10-15(11-9-13)17-14-6-4-3-5-7-14/h3-11,16H,1H2,2H3.
What are the key properties of N-methyl-1-(4-phenylsulfanylphenyl)ethenamine?
N-methyl-1-(4-phenylsulfanylphenyl)ethenamine has a molecular weight of 241.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenylsulfanylphenyl)ethenamine is sourced from PubChem (CID 142107249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).