5-(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

C14H26N4O8S2 — CID 4001422

IUPAC5-(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
SMILESCCCN1C2OC(C3OC4C(O3)N(C)S(=O)(=O)N4C)OC2N(CCC)S1(=O)=O
InChIInChI=1S/C14H26N4O8S2/c1-5-7-17-11-12(18(8-6-2)28(17,21)22)26-14(25-11)13-23-9-10(24-13)16(4)27(19,20)15(9)3/h9-14H,5-8H2,1-4H3
InChIKeyNAKOUWBPRJFASZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP-1.16
Rot. Bonds5

About 5-(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

5-(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 (PubChem CID 4001422) has the molecular formula C14H26N4O8S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-(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.

Molecular Properties

Compound Name5-(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
PubChem CID4001422
Molecular FormulaC14H26N4O8S2
Molecular Weight442.52 g/mol
Exact Mass442.12
IUPAC Name5-(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
SMILESCCCN1C2OC(C3OC4C(O3)N(C)S(=O)(=O)N4C)OC2N(CCC)S1(=O)=O
InChIInChI=1S/C14H26N4O8S2/c1-5-7-17-11-12(18(8-6-2)28(17,21)22)26-14(25-11)13-23-9-10(24-13)16(4)27(19,20)15(9)3/h9-14H,5-8H2,1-4H3
InChIKeyNAKOUWBPRJFASZ-UHFFFAOYSA-N
XLogP-1.16
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(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 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
1,1',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
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
(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 5-(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?
The IUPAC name of 5-(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 4001422) is 5-(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.
What is the SMILES notation for 5-(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?
The canonical SMILES for 5-(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 is CCCN1C2OC(C3OC4C(O3)N(C)S(=O)(=O)N4C)OC2N(CCC)S1(=O)=O.
What is the InChIKey of 5-(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?
The InChIKey is NAKOUWBPRJFASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O8S2/c1-5-7-17-11-12(18(8-6-2)28(17,21)22)26-14(25-11)13-23-9-10(24-13)16(4)27(19,20)15(9)3/h9-14H,5-8H2,1-4H3.
What are the key properties of 5-(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?
5-(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 has a molecular weight of 442.52 g/mol, XLogP of -1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(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 is sourced from PubChem (CID 4001422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).