2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine

C20H23NO5S — CID 110644216

IUPAC2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC(Cc2ccccc2)O1
InChIInChI=1S/C20H23NO5S/c1-15-13-21(14-17(26-15)11-16-5-3-2-4-6-16)27(22,23)18-7-8-19-20(12-18)25-10-9-24-19/h2-8,12,15,17H,9-11,13-14H2,1H3
InChIKeyIMWWAYPXPXXBPP-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.48
Rot. Bonds4

About 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine

2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine (PubChem CID 110644216) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine
PubChem CID110644216
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC(Cc2ccccc2)O1
InChIInChI=1S/C20H23NO5S/c1-15-13-21(14-17(26-15)11-16-5-3-2-4-6-16)27(22,23)18-7-8-19-20(12-18)25-10-9-24-19/h2-8,12,15,17H,9-11,13-14H2,1H3
InChIKeyIMWWAYPXPXXBPP-UHFFFAOYSA-N
XLogP2.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 110644203
2-benzyl-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 110644224
2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine
CID 110644206
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
CID 1129609
2-benzyl-6-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644243
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N,N-dimethylazetidin-3-amine
CID 154859885
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
CID 63767552
2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine
CID 110644230
[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120765834
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylpiperidine
CID 3154533
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
CID 53189148
(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766609

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine?
The IUPAC name of 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine (CID 110644216) is 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine.
What is the SMILES notation for 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine?
The canonical SMILES for 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine is CC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine?
The InChIKey is IMWWAYPXPXXBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-15-13-21(14-17(26-15)11-16-5-3-2-4-6-16)27(22,23)18-7-8-19-20(12-18)25-10-9-24-19/h2-8,12,15,17H,9-11,13-14H2,1H3.
What are the key properties of 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine?
2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine has a molecular weight of 389.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6-methylmorpholine is sourced from PubChem (CID 110644216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).