N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine

C14H11NOS — CID 175900520

IUPACN-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine
SMILESCON=C(C#Cc1ccsc1)c1ccccc1
InChIInChI=1S/C14H11NOS/c1-16-15-14(13-5-3-2-4-6-13)8-7-12-9-10-17-11-12/h2-6,9-11H,1H3
InChIKeyBCILTSMMSRSGPI-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.15
Rot. Bonds2

About N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine

N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine (PubChem CID 175900520) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine.

Molecular Properties

Compound NameN-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine
PubChem CID175900520
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC NameN-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine
SMILESCON=C(C#Cc1ccsc1)c1ccccc1
InChIInChI=1S/C14H11NOS/c1-16-15-14(13-5-3-2-4-6-13)8-7-12-9-10-17-11-12/h2-6,9-11H,1H3
InChIKeyBCILTSMMSRSGPI-UHFFFAOYSA-N
XLogP3.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene
CID 46915453
3-(3-phenylprop-1-ynyl)thiophene
CID 135010577
1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine
CID 86244269
phenyl-[4-(2-thiophen-3-ylethynyl)phenyl]diazene
CID 132503077
2-(2-thiophen-3-ylethynyl)benzaldehyde
CID 125484862
3-[2-(2-ethenylphenyl)ethynyl]thiophene
CID 150232619
(E)-1-(1-benzofuran-2-yl)-N-methoxy-3-phenylprop-2-yn-1-imine
CID 11369389
N-tert-butyl-3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-imine
CID 71659312
3-(5-phenylpent-1-ynyl)thiophene
CID 152636776
N'-methoxybenzenecarboximidamide
CID 10678407
triphenyl(2-thiophen-3-ylethynyl)phosphanium bromide
CID 166771661
(Z)-N-[(4-methoxyphenyl)methoxy]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-imine
CID 71620043

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine?
The IUPAC name of N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine (CID 175900520) is N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine.
What is the SMILES notation for N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine?
The canonical SMILES for N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine is CON=C(C#Cc1ccsc1)c1ccccc1.
What is the InChIKey of N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine?
The InChIKey is BCILTSMMSRSGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-16-15-14(13-5-3-2-4-6-13)8-7-12-9-10-17-11-12/h2-6,9-11H,1H3.
What are the key properties of N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine?
N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine has a molecular weight of 241.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenyl-3-thiophen-3-ylprop-2-yn-1-imine is sourced from PubChem (CID 175900520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).