N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine

C17H15NS — CID 77070203

IUPACN-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine
SMILESC(=Cc1ccccc1)CNc1ccc2sccc2c1
InChIInChI=1S/C17H15NS/c1-2-5-14(6-3-1)7-4-11-18-16-8-9-17-15(13-16)10-12-19-17/h1-10,12-13,18H,11H2
InChIKeyOGEMVJXXLMJSHG-UHFFFAOYSA-N
MW265.38 g/mol
LogP5.03
Rot. Bonds4

About N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine

N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine (PubChem CID 77070203) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine
PubChem CID77070203
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC NameN-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine
SMILESC(=Cc1ccccc1)CNc1ccc2sccc2c1
InChIInChI=1S/C17H15NS/c1-2-5-14(6-3-1)7-4-11-18-16-8-9-17-15(13-16)10-12-19-17/h1-10,12-13,18H,11H2
InChIKeyOGEMVJXXLMJSHG-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine (CID 77070203) is N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine is C(=Cc1ccccc1)CNc1ccc2sccc2c1.
What is the InChIKey of N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine?
The InChIKey is OGEMVJXXLMJSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-2-5-14(6-3-1)7-4-11-18-16-8-9-17-15(13-16)10-12-19-17/h1-10,12-13,18H,11H2.
What are the key properties of N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine?
N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine has a molecular weight of 265.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 77070203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).