3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine

C24H25NS — CID 13020065

IUPAC3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine
SMILESC(CNCCCSc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NS/c1-4-11-21(12-5-1)24(22-13-6-2-7-14-22)17-19-25-18-10-20-26-23-15-8-3-9-16-23/h1-9,11-17,25H,10,18-20H2
InChIKeyJJRBBAICKOYXDI-UHFFFAOYSA-N
MW359.54 g/mol
LogP5.89
Rot. Bonds9

About 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine

3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine (PubChem CID 13020065) has the molecular formula C24H25NS and a molecular weight of 359.54 g/mol. Its IUPAC name is 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine
PubChem CID13020065
Molecular FormulaC24H25NS
Molecular Weight359.54 g/mol
Exact Mass359.17
IUPAC Name3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine
SMILESC(CNCCCSc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NS/c1-4-11-21(12-5-1)24(22-13-6-2-7-14-22)17-19-25-18-10-20-26-23-15-8-3-9-16-23/h1-9,11-17,25H,10,18-20H2
InChIKeyJJRBBAICKOYXDI-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-((bis(4-fluorophenyl)methyl)thio)ethyl)-3-phenylpropan-1-amine
CID 10430935
S-Tritylcysteamine
CID 262764
N-(2-phenylethyl)-2-(9H-thioxanthen-9-yl)ethanamine
CID 56678302
N-(2-(benzhydrylthio)ethyl)-3-phenylpropan-1-amine
CID 9975860
4-Benzyl-1-(2-phenylsulfanyl-ethyl)-piperidine
CID 12045832
2-(Diphenyl(P-Tolyl)Methylthio)Ethanamine
CID 57380880
2-(Phenyldip-Tolylmethylthio)Ethanamine
CID 71719943
2-(benzhydrylthio)-N-(cyclopropylmethyl)ethan-1-amine
CID 76318210
N-(2-((bis(4-fluorophenyl)methyl)sulfinyl)ethyl)-3-phenylpropan-1-amine
CID 76321904
N-(2-(benzhydrylthio)ethyl)butan-1-amine
CID 76332746
3-(Tritylthio)propylamine
CID 24806228
4-[(Triphenylmethyl)sulfanyl]butan-1-amine
CID 24806229

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine?
The IUPAC name of 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine (CID 13020065) is 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine is C(CNCCCSc1ccccc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine?
The InChIKey is JJRBBAICKOYXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NS/c1-4-11-21(12-5-1)24(22-13-6-2-7-14-22)17-19-25-18-10-20-26-23-15-8-3-9-16-23/h1-9,11-17,25H,10,18-20H2.
What are the key properties of 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine?
3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine has a molecular weight of 359.54 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-(3-phenylsulfanylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 13020065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).