2-(3,4-dimethoxyphenyl)sulfanylmorpholine

C12H17NO3S — CID 117034183

IUPAC2-(3,4-dimethoxyphenyl)sulfanylmorpholine
SMILESCOc1ccc(SC2CNCCO2)cc1OC
InChIInChI=1S/C12H17NO3S/c1-14-10-4-3-9(7-11(10)15-2)17-12-8-13-5-6-16-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyDXSBHENZDWKMDI-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.74
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)sulfanylmorpholine

2-(3,4-dimethoxyphenyl)sulfanylmorpholine (PubChem CID 117034183) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanylmorpholine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanylmorpholine
PubChem CID117034183
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanylmorpholine
SMILESCOc1ccc(SC2CNCCO2)cc1OC
InChIInChI=1S/C12H17NO3S/c1-14-10-4-3-9(7-11(10)15-2)17-12-8-13-5-6-16-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyDXSBHENZDWKMDI-UHFFFAOYSA-N
XLogP1.74
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)sulfanylmorpholine
CID 117034189
2-(4-propan-2-yloxyphenyl)sulfanylmorpholine
CID 117034199
N-(4-morpholin-2-ylsulfanylphenyl)acetamide
CID 117034195
2-(3,4-dimethoxyphenyl)-N-methyl-N-(morpholin-2-ylmethyl)ethanamine
CID 42849152
2-methoxy-N-morpholin-2-ylsulfanylbenzamide
CID 21140376
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
2-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]morpholine
CID 114716528
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-(morpholin-2-yldisulfanyl)morpholine
CID 22625305
6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanylmorpholine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanylmorpholine (CID 117034183) is 2-(3,4-dimethoxyphenyl)sulfanylmorpholine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanylmorpholine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanylmorpholine is COc1ccc(SC2CNCCO2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanylmorpholine?
The InChIKey is DXSBHENZDWKMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-14-10-4-3-9(7-11(10)15-2)17-12-8-13-5-6-16-12/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanylmorpholine?
2-(3,4-dimethoxyphenyl)sulfanylmorpholine has a molecular weight of 255.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanylmorpholine is sourced from PubChem (CID 117034183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).