2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine

C13H19NO2S — CID 117034189

IUPAC2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine
SMILESCOc1cc(C)c(SC2CNCCO2)cc1C
InChIInChI=1S/C13H19NO2S/c1-9-7-12(10(2)6-11(9)15-3)17-13-8-14-4-5-16-13/h6-7,13-14H,4-5,8H2,1-3H3
InChIKeyRWBFDNVXHOTFEA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine

2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine (PubChem CID 117034189) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine
PubChem CID117034189
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine
SMILESCOc1cc(C)c(SC2CNCCO2)cc1C
InChIInChI=1S/C13H19NO2S/c1-9-7-12(10(2)6-11(9)15-3)17-13-8-14-4-5-16-13/h6-7,13-14H,4-5,8H2,1-3H3
InChIKeyRWBFDNVXHOTFEA-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine
CID 117032983
2-(3,4-dimethoxyphenyl)sulfanylmorpholine
CID 117034183
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2,5-dimethoxy-4-methyl-N-(morpholin-2-ylmethyl)aniline
CID 115237476
4-(4-methoxy-2,5-dimethylphenyl)sulfanylcyclohexan-1-ol
CID 117034473
(4-methoxy-3-methylphenyl)-morpholin-2-ylmethanamine
CID 116940973
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
2-(4-propan-2-yloxyphenyl)sulfanylmorpholine
CID 117034199
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine (CID 117034189) is 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine is COc1cc(C)c(SC2CNCCO2)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine?
The InChIKey is RWBFDNVXHOTFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-7-12(10(2)6-11(9)15-3)17-13-8-14-4-5-16-13/h6-7,13-14H,4-5,8H2,1-3H3.
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine?
2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine has a molecular weight of 253.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine is sourced from PubChem (CID 117034189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).