2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione

C20H19NO5S — CID 7432384

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H](C)O1
InChIInChI=1S/C20H19NO5S/c1-12-10-21(11-13(2)26-12)27(24,25)14-7-8-17-18(9-14)20(23)16-6-4-3-5-15(16)19(17)22/h3-9,12-13H,10-11H2,1-2H3/t12-,13+
InChIKeyHHZABILEXZVMKC-BETUJISGSA-N
MW385.44 g/mol
LogP2.26
Rot. Bonds2

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione (PubChem CID 7432384) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione
PubChem CID7432384
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H](C)O1
InChIInChI=1S/C20H19NO5S/c1-12-10-21(11-13(2)26-12)27(24,25)14-7-8-17-18(9-14)20(23)16-6-4-3-5-15(16)19(17)22/h3-9,12-13H,10-11H2,1-2H3/t12-,13+
InChIKeyHHZABILEXZVMKC-BETUJISGSA-N
XLogP2.26
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine
CID 1120272
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
2-(4-methylpiperazin-4-ium-1-yl)sulfonylanthracene-9,10-dione
CID 7074376
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
1-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]ethanol
CID 104959833
(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7366801
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione (CID 7432384) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione is C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione?
The InChIKey is HHZABILEXZVMKC-BETUJISGSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-12-10-21(11-13(2)26-12)27(24,25)14-7-8-17-18(9-14)20(23)16-6-4-3-5-15(16)19(17)22/h3-9,12-13H,10-11H2,1-2H3/t12-,13+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione has a molecular weight of 385.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione is sourced from PubChem (CID 7432384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).