2-(4-methoxyphenyl)thiomorpholine

C11H15NOS — CID 4996817

IUPAC2-(4-methoxyphenyl)thiomorpholine
SMILESCOc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C11H15NOS/c1-13-10-4-2-9(3-5-10)11-8-12-6-7-14-11/h2-5,11-12H,6-8H2,1H3
InChIKeyYAPWTYUHWOWUHY-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.07
Rot. Bonds2

About 2-(4-methoxyphenyl)thiomorpholine

2-(4-methoxyphenyl)thiomorpholine (PubChem CID 4996817) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)thiomorpholine
PubChem CID4996817
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(4-methoxyphenyl)thiomorpholine
SMILESCOc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C11H15NOS/c1-13-10-4-2-9(3-5-10)11-8-12-6-7-14-11/h2-5,11-12H,6-8H2,1H3
InChIKeyYAPWTYUHWOWUHY-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)thiomorpholine?
The IUPAC name of 2-(4-methoxyphenyl)thiomorpholine (CID 4996817) is 2-(4-methoxyphenyl)thiomorpholine.
What is the SMILES notation for 2-(4-methoxyphenyl)thiomorpholine?
The canonical SMILES for 2-(4-methoxyphenyl)thiomorpholine is COc1ccc(C2CNCCS2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)thiomorpholine?
The InChIKey is YAPWTYUHWOWUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-13-10-4-2-9(3-5-10)11-8-12-6-7-14-11/h2-5,11-12H,6-8H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)thiomorpholine?
2-(4-methoxyphenyl)thiomorpholine has a molecular weight of 209.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)thiomorpholine is sourced from PubChem (CID 4996817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).