3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide

C12H22N4O8S2 — CID 15534951

IUPAC3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
SMILESCCN1C2OC(C3OC4C(O3)N(CC)S(=O)(=O)N4C)OC2N(C)S1(=O)=O
InChIInChI=1S/C12H22N4O8S2/c1-5-15-9-7(13(3)25(15,17)18)21-11(23-9)12-22-8-10(24-12)16(6-2)26(19,20)14(8)4/h7-12H,5-6H2,1-4H3
InChIKeyOHPOLXGOMUWSMH-UHFFFAOYSA-N
MW414.46 g/mol
LogP-1.94
Rot. Bonds3

About 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide

3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide (PubChem CID 15534951) has the molecular formula C12H22N4O8S2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide.

Molecular Properties

Compound Name3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
PubChem CID15534951
Molecular FormulaC12H22N4O8S2
Molecular Weight414.46 g/mol
Exact Mass414.09
IUPAC Name3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
SMILESCCN1C2OC(C3OC4C(O3)N(CC)S(=O)(=O)N4C)OC2N(C)S1(=O)=O
InChIInChI=1S/C12H22N4O8S2/c1-5-15-9-7(13(3)25(15,17)18)21-11(23-9)12-22-8-10(24-12)16(6-2)26(19,20)14(8)4/h7-12H,5-6H2,1-4H3
InChIKeyOHPOLXGOMUWSMH-UHFFFAOYSA-N
XLogP-1.94
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide with MolForge

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Related Compounds

1,3,1',3'-Tetraisopropyl-octahydro-[5,5']bi[4,6-dioxa-2-thia-1,3-diaza-pentalenyl] 2,2,2',2'-tetraoxide
CID 3147447
1,1',3,3'-tetramethyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide
CID 535946
7-(6,8-Diethyl-7,7-dioxo-2,4-dioxa-7-thia-6,8-diazabicyclo[3.3.0]oct-3-yl)-2,4-diethyl-6,8-dioxa-3-thia-2,4-diazabicyclo[3.3.0]octane-3,3-dione
CID 3147446
1,3-dimethyl-1',3'-dipropyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide
CID 4001422
1,1',3,3'-Tetra-sec-butyloctahydro-5H,5'H-5,5'-BI[1,3]dioxolo[4,5-C][1,2,5]thiadiazole 2,2,2',2'-tetraoxide
CID 4553434
1,1',3,3'-tetrapropyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide
CID 3993651
1,1',3,3'-tetrabutyloctahydro-5H,5'H-5,5'-bi[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2,2',2'-tetraoxide
CID 4553433
(3aS,6aR)-5-[(3aS,6aR)-2,2-dioxo-1,3-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl]-1,3-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
CID 1039620
(3aR,6aS)-5-[(3aS,6aR)-2,2-dioxo-1,3-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl]-1,3-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
CID 1039621
(3aR,6aS)-5-[(3aR,6aS)-1,3-diethyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl]-1,3-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
CID 1161106
(3aR,6aS)-5-[(3aS,6aR)-2,2-dioxo-1,3-di(propan-2-yl)-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl]-1,3-di(propan-2-yl)-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
CID 1161108
(3aR,6aS)-5-[(3aS,6aR)-1,3-dimethyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl]-1,3-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
CID 1256239

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide?
The IUPAC name of 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide (CID 15534951) is 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide.
What is the SMILES notation for 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide?
The canonical SMILES for 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide is CCN1C2OC(C3OC4C(O3)N(CC)S(=O)(=O)N4C)OC2N(C)S1(=O)=O.
What is the InChIKey of 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide?
The InChIKey is OHPOLXGOMUWSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O8S2/c1-5-15-9-7(13(3)25(15,17)18)21-11(23-9)12-22-8-10(24-12)16(6-2)26(19,20)14(8)4/h7-12H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide?
3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide has a molecular weight of 414.46 g/mol, XLogP of -1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-ethyl-1-methyl-2,2-dioxo-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazol-5-yl)-1-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide is sourced from PubChem (CID 15534951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).