[5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine

C17H15NS2 — CID 162355712

IUPAC[5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine
SMILESNCc1ccc(Sc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H15NS2/c18-12-16-10-11-17(20-16)19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12,18H2
InChIKeyMFZCFWFVNLOTHL-UHFFFAOYSA-N
MW297.45 g/mol
LogP5.03
Rot. Bonds4

About [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine

[5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine (PubChem CID 162355712) has the molecular formula C17H15NS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine
PubChem CID162355712
Molecular FormulaC17H15NS2
Molecular Weight297.45 g/mol
Exact Mass297.06
IUPAC Name[5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine
SMILESNCc1ccc(Sc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H15NS2/c18-12-16-10-11-17(20-16)19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12,18H2
InChIKeyMFZCFWFVNLOTHL-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine?
The IUPAC name of [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine (CID 162355712) is [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine is NCc1ccc(Sc2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine?
The InChIKey is MFZCFWFVNLOTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS2/c18-12-16-10-11-17(20-16)19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12,18H2.
What are the key properties of [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine?
[5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine has a molecular weight of 297.45 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-phenylphenyl)sulfanylthiophen-2-yl]methanamine is sourced from PubChem (CID 162355712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).