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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Related Compounds

3-(4-methoxyphenyl)-5-methylthiomorpholine
CID 66217923
3-(3,4-dichlorophenyl)-1,4-thiazepane
CID 66219260
(3R,5R)-3,5-dimethylthiomorpholine
CID 13077511
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazepane
CID 66233978
3-(4-bromophenyl)-5-methyl-1,4-thiazepane
CID 66234655
3-methyl-5-(2-propan-2-ylphenyl)thiomorpholine
CID 174983571
3-(4-bromo-2-chlorophenyl)-5-methyl-1,4-thiazepane
CID 82780619
(2S)-2-(3-chloro-4-methylphenyl)aziridine
CID 55263390
2-(3,4-dichlorophenyl)piperidin-4-ol
CID 173222144
(4R)-4-(3,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171184906
(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 723855
(4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
CID 70299624

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).