5-(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

C18H34N4O8S2 — CID 3993651

IUPAC5-(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
SMILESCCCN1C2OC(C3OC4C(O3)N(CCC)S(=O)(=O)N4CCC)OC2N(CCC)S1(=O)=O
InChIInChI=1S/C18H34N4O8S2/c1-5-9-19-13-14(20(10-6-2)31(19,23)24)28-17(27-13)18-29-15-16(30-18)22(12-8-4)32(25,26)21(15)11-7-3/h13-18H,5-12H2,1-4H3
InChIKeyWTXJUPLAFYQRIQ-UHFFFAOYSA-N
MW498.62 g/mol
LogP0.40
Rot. Bonds9

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-dipropyl-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-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide (PubChem CID 3993651) has the molecular formula C18H34N4O8S2 and a molecular weight of 498.62 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-dipropyl-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-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
PubChem CID3993651
Molecular FormulaC18H34N4O8S2
Molecular Weight498.62 g/mol
Exact Mass498.18
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-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide
SMILESCCCN1C2OC(C3OC4C(O3)N(CCC)S(=O)(=O)N4CCC)OC2N(CCC)S1(=O)=O
InChIInChI=1S/C18H34N4O8S2/c1-5-9-19-13-14(20(10-6-2)31(19,23)24)28-17(27-13)18-29-15-16(30-18)22(12-8-4)32(25,26)21(15)11-7-3/h13-18H,5-12H2,1-4H3
InChIKeyWTXJUPLAFYQRIQ-UHFFFAOYSA-N
XLogP0.40
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 50.40
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-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide with MolForge

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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-dipropyl-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-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide (CID 3993651) 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-dipropyl-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-dipropyl-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-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide is CCCN1C2OC(C3OC4C(O3)N(CCC)S(=O)(=O)N4CCC)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-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide?
The InChIKey is WTXJUPLAFYQRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O8S2/c1-5-9-19-13-14(20(10-6-2)31(19,23)24)28-17(27-13)18-29-15-16(30-18)22(12-8-4)32(25,26)21(15)11-7-3/h13-18H,5-12H2,1-4H3.
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-dipropyl-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-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide has a molecular weight of 498.62 g/mol, XLogP of 0.40, 9 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-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole 2,2-dioxide is sourced from PubChem (CID 3993651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).