(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

C18H34N4O8S2 — CID 1161108

IUPAC(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
SMILESCC(C)N1[C@@H]2OC(C3O[C@@H]4[C@H](O3)N(C(C)C)S(=O)(=O)N4C(C)C)O[C@@H]2N(C(C)C)S1(=O)=O
InChIInChI=1S/C18H34N4O8S2/c1-9(2)19-13-14(20(10(3)4)31(19,23)24)28-17(27-13)18-29-15-16(30-18)22(12(7)8)32(25,26)21(15)11(5)6/h9-18H,1-8H3/t13-,14+,15-,16+,17?,18?
InChIKeyZIEDAKIIJRZKNM-OLQSNFDLSA-N
MW498.62 g/mol
LogP0.40
Rot. Bonds5

About (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

(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 (PubChem CID 1161108) has the molecular formula C18H34N4O8S2 and a molecular weight of 498.62 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID1161108
Molecular FormulaC18H34N4O8S2
Molecular Weight498.62 g/mol
Exact Mass498.18
IUPAC Name(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
SMILESCC(C)N1[C@@H]2OC(C3O[C@@H]4[C@H](O3)N(C(C)C)S(=O)(=O)N4C(C)C)O[C@@H]2N(C(C)C)S1(=O)=O
InChIInChI=1S/C18H34N4O8S2/c1-9(2)19-13-14(20(10(3)4)31(19,23)24)28-17(27-13)18-29-15-16(30-18)22(12(7)8)32(25,26)21(15)11(5)6/h9-18H,1-8H3/t13-,14+,15-,16+,17?,18?
InChIKeyZIEDAKIIJRZKNM-OLQSNFDLSA-N
XLogP0.40
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
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 (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)N1[C@@H]2OC(C3O[C@@H]4[C@H](O3)N(C(C)C)S(=O)(=O)N4C(C)C)O[C@@H]2N(C(C)C)S1(=O)=O.
What is the InChIKey of (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?
The InChIKey is ZIEDAKIIJRZKNM-OLQSNFDLSA-N. The full InChI is InChI=1S/C18H34N4O8S2/c1-9(2)19-13-14(20(10(3)4)31(19,23)24)28-17(27-13)18-29-15-16(30-18)22(12(7)8)32(25,26)21(15)11(5)6/h9-18H,1-8H3/t13-,14+,15-,16+,17?,18?.
What are the key properties of (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?
(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 has a molecular weight of 498.62 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 1161108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).