2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine

C13H17NO3S — CID 117421822

IUPAC2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
SMILESCSc1cc2c(cc1C1CNCCO1)OCCO2
InChIInChI=1S/C13H17NO3S/c1-18-13-7-11-10(16-4-5-17-11)6-9(13)12-8-14-2-3-15-12/h6-7,12,14H,2-5,8H2,1H3
InChIKeySBFIDYJLONFXME-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.84
Rot. Bonds2

About 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine

2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine (PubChem CID 117421822) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine.

Molecular Properties

Compound Name2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
PubChem CID117421822
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
SMILESCSc1cc2c(cc1C1CNCCO1)OCCO2
InChIInChI=1S/C13H17NO3S/c1-18-13-7-11-10(16-4-5-17-11)6-9(13)12-8-14-2-3-15-12/h6-7,12,14H,2-5,8H2,1H3
InChIKeySBFIDYJLONFXME-UHFFFAOYSA-N
XLogP1.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117392151
7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117346368
2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117376104
2-[2,3-bis(methylsulfanyl)phenyl]morpholine
CID 117391940
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117499204
2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine
CID 117342217
2-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]morpholine
CID 117488290
2-(2-fluoro-5-methylsulfanylphenyl)morpholine
CID 115111871
2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
CID 117463646
2-(2-chloro-6-methylsulfanylphenyl)morpholine
CID 117361636
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine
CID 117364414

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
The IUPAC name of 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine (CID 117421822) is 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine.
What is the SMILES notation for 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
The canonical SMILES for 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine is CSc1cc2c(cc1C1CNCCO1)OCCO2.
What is the InChIKey of 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
The InChIKey is SBFIDYJLONFXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-18-13-7-11-10(16-4-5-17-11)6-9(13)12-8-14-2-3-15-12/h6-7,12,14H,2-5,8H2,1H3.
What are the key properties of 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine has a molecular weight of 267.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine is sourced from PubChem (CID 117421822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).