2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione

C19H15NO5S — CID 169240438

IUPAC2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21
InChIInChI=1S/C19H15NO5S/c21-17-13-3-1-2-4-14(13)18(22)16-11-12(5-6-15(16)17)19(23)20-7-9-26(24,25)10-8-20/h1-6,11H,7-10H2
InChIKeyRTCLIHMCOXHNRZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.33
Rot. Bonds1

About 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione

2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione (PubChem CID 169240438) has the molecular formula C19H15NO5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione
PubChem CID169240438
Molecular FormulaC19H15NO5S
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21
InChIInChI=1S/C19H15NO5S/c21-17-13-3-1-2-4-14(13)18(22)16-11-12(5-6-15(16)17)19(23)20-7-9-26(24,25)10-8-20/h1-6,11H,7-10H2
InChIKeyRTCLIHMCOXHNRZ-UHFFFAOYSA-N
XLogP1.33
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.33
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

2-[4-(furan-3-carbonyl)piperazine-1-carbonyl]fluoren-9-one
CID 32534624
2-(4-hydroxypiperidine-1-carbonyl)fluoren-9-one
CID 110883962
2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
CID 633858
ethyl 4-(9-oxofluorene-2-carbonyl)piperazine-1-carboxylate
CID 17446072
[4-(9,10-dioxoanthracene-2-carbonyl)piperazin-1-yl]methanesulfinate
CID 170189766
1-[4-(9,10-dioxoanthracene-2-carbonyl)piperazin-1-yl]cyclopropane-1-sulfinic acid
CID 170189844
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(2-fluorophenyl)phenyl]methanone
CID 131950577
1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide
CID 175949360
1-[2-oxo-2-[4-(9-oxofluorene-2-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 55950727
2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]fluoren-9-one
CID 55800240
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione (CID 169240438) is 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione?
The InChIKey is RTCLIHMCOXHNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5S/c21-17-13-3-1-2-4-14(13)18(22)16-11-12(5-6-15(16)17)19(23)20-7-9-26(24,25)10-8-20/h1-6,11H,7-10H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione?
2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione has a molecular weight of 369.40 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione is sourced from PubChem (CID 169240438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).