N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

C13H17NO5S2 — CID 118780867

IUPACN-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESCN(C(=O)c1scc2c1OCCO2)C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H17NO5S2/c1-14(9-2-6-21(16,17)7-3-9)13(15)12-11-10(8-20-12)18-4-5-19-11/h8-9H,2-7H2,1H3
InChIKeyLJDKOKDJGDOBFP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.17
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (PubChem CID 118780867) has the molecular formula C13H17NO5S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
PubChem CID118780867
Molecular FormulaC13H17NO5S2
Molecular Weight331.42 g/mol
Exact Mass331.05
IUPAC NameN-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SMILESCN(C(=O)c1scc2c1OCCO2)C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H17NO5S2/c1-14(9-2-6-21(16,17)7-3-9)13(15)12-11-10(8-20-12)18-4-5-19-11/h8-9H,2-7H2,1H3
InChIKeyLJDKOKDJGDOBFP-UHFFFAOYSA-N
XLogP1.17
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
CID 6599870
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 709948
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91794318
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023421
N-[(4aR,6S,7aS)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-3-carboxamide
CID 169417674
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
CID 70708030
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699576
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylcyclopropane-1-carboxamide
CID 113198660
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 7259618

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide (CID 118780867) is N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is CN(C(=O)c1scc2c1OCCO2)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
The InChIKey is LJDKOKDJGDOBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S2/c1-14(9-2-6-21(16,17)7-3-9)13(15)12-11-10(8-20-12)18-4-5-19-11/h8-9H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide?
N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide is sourced from PubChem (CID 118780867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).