3-(3,4-dichlorophenyl)-5-methylthiomorpholine

C11H13Cl2NS — CID 66219407

IUPAC3-(3,4-dichlorophenyl)-5-methylthiomorpholine
SMILESCC1CSCC(c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C11H13Cl2NS/c1-7-5-15-6-11(14-7)8-2-3-9(12)10(13)4-8/h2-4,7,11,14H,5-6H2,1H3
InChIKeyMIKCFTRJYLYXEY-UHFFFAOYSA-N
MW262.21 g/mol
LogP3.76
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-5-methylthiomorpholine

3-(3,4-dichlorophenyl)-5-methylthiomorpholine (PubChem CID 66219407) has the molecular formula C11H13Cl2NS and a molecular weight of 262.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-methylthiomorpholine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-methylthiomorpholine
PubChem CID66219407
Molecular FormulaC11H13Cl2NS
Molecular Weight262.21 g/mol
Exact Mass261.01
IUPAC Name3-(3,4-dichlorophenyl)-5-methylthiomorpholine
SMILESCC1CSCC(c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C11H13Cl2NS/c1-7-5-15-6-11(14-7)8-2-3-9(12)10(13)4-8/h2-4,7,11,14H,5-6H2,1H3
InChIKeyMIKCFTRJYLYXEY-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-methylthiomorpholine?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-methylthiomorpholine (CID 66219407) is 3-(3,4-dichlorophenyl)-5-methylthiomorpholine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-methylthiomorpholine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-methylthiomorpholine is CC1CSCC(c2ccc(Cl)c(Cl)c2)N1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-methylthiomorpholine?
The InChIKey is MIKCFTRJYLYXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NS/c1-7-5-15-6-11(14-7)8-2-3-9(12)10(13)4-8/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-5-methylthiomorpholine?
3-(3,4-dichlorophenyl)-5-methylthiomorpholine has a molecular weight of 262.21 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-methylthiomorpholine is sourced from PubChem (CID 66219407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).