2-[2,3-bis(methylsulfanyl)phenyl]morpholine

C12H17NOS2 — CID 117391940

IUPAC2-[2,3-bis(methylsulfanyl)phenyl]morpholine
SMILESCSc1cccc(C2CNCCO2)c1SC
InChIInChI=1S/C12H17NOS2/c1-15-11-5-3-4-9(12(11)16-2)10-8-13-6-7-14-10/h3-5,10,13H,6-8H2,1-2H3
InChIKeyWRPTXJZAUIZNHS-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.79
Rot. Bonds3

About 2-[2,3-bis(methylsulfanyl)phenyl]morpholine

2-[2,3-bis(methylsulfanyl)phenyl]morpholine (PubChem CID 117391940) has the molecular formula C12H17NOS2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[2,3-bis(methylsulfanyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[2,3-bis(methylsulfanyl)phenyl]morpholine
PubChem CID117391940
Molecular FormulaC12H17NOS2
Molecular Weight255.41 g/mol
Exact Mass255.08
IUPAC Name2-[2,3-bis(methylsulfanyl)phenyl]morpholine
SMILESCSc1cccc(C2CNCCO2)c1SC
InChIInChI=1S/C12H17NOS2/c1-15-11-5-3-4-9(12(11)16-2)10-8-13-6-7-14-10/h3-5,10,13H,6-8H2,1-2H3
InChIKeyWRPTXJZAUIZNHS-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-methylsulfanylphenyl)morpholine
CID 117361636
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117421822
2-fluoro-N,N-dimethyl-6-morpholin-2-ylaniline
CID 115111854
3-morpholin-2-yl-2-nitrosophenol
CID 174751640
2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
2-(2-fluoro-5-methylsulfanylphenyl)morpholine
CID 115111871
(2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone
CID 174981779
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
CID 117463646
2-[2-(1-fluoroethyl)-3-methoxyphenyl]morpholine
CID 117350776
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-[2-(1,1-difluoroethyl)phenyl]morpholine
CID 117326792

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(methylsulfanyl)phenyl]morpholine?
The IUPAC name of 2-[2,3-bis(methylsulfanyl)phenyl]morpholine (CID 117391940) is 2-[2,3-bis(methylsulfanyl)phenyl]morpholine.
What is the SMILES notation for 2-[2,3-bis(methylsulfanyl)phenyl]morpholine?
The canonical SMILES for 2-[2,3-bis(methylsulfanyl)phenyl]morpholine is CSc1cccc(C2CNCCO2)c1SC.
What is the InChIKey of 2-[2,3-bis(methylsulfanyl)phenyl]morpholine?
The InChIKey is WRPTXJZAUIZNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS2/c1-15-11-5-3-4-9(12(11)16-2)10-8-13-6-7-14-10/h3-5,10,13H,6-8H2,1-2H3.
What are the key properties of 2-[2,3-bis(methylsulfanyl)phenyl]morpholine?
2-[2,3-bis(methylsulfanyl)phenyl]morpholine has a molecular weight of 255.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(methylsulfanyl)phenyl]morpholine is sourced from PubChem (CID 117391940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).