N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine

C16H17NS — CID 169474688

IUPACN-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine
SMILESCNCC=Cc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H17NS/c1-17-13-5-6-14-9-11-16(12-10-14)18-15-7-3-2-4-8-15/h2-12,17H,13H2,1H3
InChIKeyCFQWWBPQUMPUEX-UHFFFAOYSA-N
MW255.39 g/mol
LogP4.07
Rot. Bonds5

About N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine

N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine (PubChem CID 169474688) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine
PubChem CID169474688
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC NameN-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine
SMILESCNCC=Cc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C16H17NS/c1-17-13-5-6-14-9-11-16(12-10-14)18-15-7-3-2-4-8-15/h2-12,17H,13H2,1H3
InChIKeyCFQWWBPQUMPUEX-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine (CID 169474688) is N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine is CNCC=Cc1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine?
The InChIKey is CFQWWBPQUMPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-17-13-5-6-14-9-11-16(12-10-14)18-15-7-3-2-4-8-15/h2-12,17H,13H2,1H3.
What are the key properties of N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine?
N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine has a molecular weight of 255.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-phenylsulfanylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 169474688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).