N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine

C18H19NS — CID 10107776

IUPACN-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine
SMILESCCC(C)N=C=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NS/c1-3-15(2)19-14-18(16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13,15H,3H2,1-2H3
InChIKeyWXTKJAMTGBIFER-UHFFFAOYSA-N
MW281.42 g/mol
LogP5.29
Rot. Bonds5

About N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine

N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine (PubChem CID 10107776) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine.

Molecular Properties

Compound NameN-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine
PubChem CID10107776
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC NameN-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine
SMILESCCC(C)N=C=C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NS/c1-3-15(2)19-14-18(16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13,15H,3H2,1-2H3
InChIKeyWXTKJAMTGBIFER-UHFFFAOYSA-N
XLogP5.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-(2-phenylsulfanylphenyl)propan-2-amine
CID 11834811
[(E)-2-phenylsulfanyl-but-1-enyl]-benzene
CID 5808548
[(Z)-2-phenylsulfanyl-hex-1-enyl]-benzene
CID 5905585
[(E)-1-phenylpent-1-enyl]sulfanylbenzene
CID 5935922
[(E)-1-phenylhex-1-en-2-yl]sulfanylbenzene
CID 6373957
[(Z)-1-phenylbut-1-enyl]sulfanylbenzene
CID 176422883
(E)-3-(4-fluorophenyl)sulfanyl-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 13506093
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
CID 20133708
3-(4-fluorophenyl)sulfanyl-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 53882262
1-Dimethylamino-3-(4-fluorophenyl)-3-phenylthio-2-propene
CID 54185362
N-butan-2-yl-2-phenyl-2-phenylsulfanylethanimidoyl chloride
CID 10471110
[(Z)-1-phenylbut-1-en-2-yl]sulfanylbenzene
CID 12299368

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine?
The IUPAC name of N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine (CID 10107776) is N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine.
What is the SMILES notation for N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine?
The canonical SMILES for N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine is CCC(C)N=C=C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine?
The InChIKey is WXTKJAMTGBIFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-3-15(2)19-14-18(16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13,15H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine?
N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine has a molecular weight of 281.42 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-phenyl-2-phenylsulfanylethenimine is sourced from PubChem (CID 10107776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).