6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one

C14H16N2O4S — CID 102737404

IUPAC6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one
SMILESCC1CS(=O)(=O)CCN1C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H16N2O4S/c1-9-8-21(19,20)5-4-16(9)14(18)11-3-2-10-7-13(17)15-12(10)6-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyUOWYUEYWQXRRJE-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.44
Rot. Bonds1

About 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one

6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 102737404) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one
PubChem CID102737404
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one
SMILESCC1CS(=O)(=O)CCN1C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H16N2O4S/c1-9-8-21(19,20)5-4-16(9)14(18)11-3-2-10-7-13(17)15-12(10)6-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyUOWYUEYWQXRRJE-UHFFFAOYSA-N
XLogP0.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 99816902
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
(4-amino-3-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882172
6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711587
6-(2,6-dimethylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 102712422
[3-amino-4-(dimethylamino)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882248
(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 166211961
6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 102712720
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 102712777
6-(4-amino-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711641
[4-(2-aminoethyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883272

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one (CID 102737404) is 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one is CC1CS(=O)(=O)CCN1C(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is UOWYUEYWQXRRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-8-21(19,20)5-4-16(9)14(18)11-3-2-10-7-13(17)15-12(10)6-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one?
6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 308.36 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102737404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).