(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone

C17H21N3O3S2 — CID 55655127

IUPAC(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1
InChIInChI=1S/C17H21N3O3S2/c1-2-12-4-3-7-19(11-12)16(21)13-5-6-14-15(10-13)24-17-18-25(22,23)9-8-20(14)17/h5-6,10,12H,2-4,7-9,11H2,1H3
InChIKeyKZGJGNWDEMLJDS-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.56
Rot. Bonds2

About (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone

(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone (PubChem CID 55655127) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone
PubChem CID55655127
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1
InChIInChI=1S/C17H21N3O3S2/c1-2-12-4-3-7-19(11-12)16(21)13-5-6-14-15(10-13)24-17-18-25(22,23)9-8-20(14)17/h5-6,10,12H,2-4,7-9,11H2,1H3
InChIKeyKZGJGNWDEMLJDS-UHFFFAOYSA-N
XLogP2.56
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide
CID 95766996
2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
CID 103998035
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
N-[(2-methoxyphenyl)methyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 7551248
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 34467098
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-(3-ethylpiperidin-1-yl)methanone
CID 81459935
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55417787
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55330595
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone (CID 55655127) is (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1.
What is the InChIKey of (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is KZGJGNWDEMLJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-2-12-4-3-7-19(11-12)16(21)13-5-6-14-15(10-13)24-17-18-25(22,23)9-8-20(14)17/h5-6,10,12H,2-4,7-9,11H2,1H3.
What are the key properties of (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone?
(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 55655127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).