2-(3-methylthiophen-2-yl)-5-phenylmorpholine

C15H17NOS — CID 63991476

IUPAC2-(3-methylthiophen-2-yl)-5-phenylmorpholine
SMILESCc1ccsc1C1CNC(c2ccccc2)CO1
InChIInChI=1S/C15H17NOS/c1-11-7-8-18-15(11)14-9-16-13(10-17-14)12-5-3-2-4-6-12/h2-8,13-14,16H,9-10H2,1H3
InChIKeyKJYXFPDFJNCQMK-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.46
Rot. Bonds2

About 2-(3-methylthiophen-2-yl)-5-phenylmorpholine

2-(3-methylthiophen-2-yl)-5-phenylmorpholine (PubChem CID 63991476) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-5-phenylmorpholine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-5-phenylmorpholine
PubChem CID63991476
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-(3-methylthiophen-2-yl)-5-phenylmorpholine
SMILESCc1ccsc1C1CNC(c2ccccc2)CO1
InChIInChI=1S/C15H17NOS/c1-11-7-8-18-15(11)14-9-16-13(10-17-14)12-5-3-2-4-6-12/h2-8,13-14,16H,9-10H2,1H3
InChIKeyKJYXFPDFJNCQMK-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-5-phenylmorpholine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-5-phenylmorpholine (CID 63991476) is 2-(3-methylthiophen-2-yl)-5-phenylmorpholine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-5-phenylmorpholine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-5-phenylmorpholine is Cc1ccsc1C1CNC(c2ccccc2)CO1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-5-phenylmorpholine?
The InChIKey is KJYXFPDFJNCQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-7-8-18-15(11)14-9-16-13(10-17-14)12-5-3-2-4-6-12/h2-8,13-14,16H,9-10H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-5-phenylmorpholine?
2-(3-methylthiophen-2-yl)-5-phenylmorpholine has a molecular weight of 259.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-5-phenylmorpholine is sourced from PubChem (CID 63991476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).