(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

C10H18N4O8S2 — CID 1256239

IUPAC(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
SMILESCN1[C@@H]2OC(C3O[C@@H]4[C@H](O3)N(C)S(=O)(=O)N4C)O[C@@H]2N(C)S1(=O)=O
InChIInChI=1S/C10H18N4O8S2/c1-11-5-6(12(2)23(11,15)16)20-9(19-5)10-21-7-8(22-10)14(4)24(17,18)13(7)3/h5-10H,1-4H3/t5-,6+,7-,8+,9?,10?
InChIKeyQEGUSJJJVJHYON-QGPWORDESA-N
MW386.41 g/mol
LogP-2.72
Rot. Bonds1

About (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

(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 (PubChem CID 1256239) has the molecular formula C10H18N4O8S2 and a molecular weight of 386.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID1256239
Molecular FormulaC10H18N4O8S2
Molecular Weight386.41 g/mol
Exact Mass386.06
IUPAC Name(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
SMILESCN1[C@@H]2OC(C3O[C@@H]4[C@H](O3)N(C)S(=O)(=O)N4C)O[C@@H]2N(C)S1(=O)=O
InChIInChI=1S/C10H18N4O8S2/c1-11-5-6(12(2)23(11,15)16)20-9(19-5)10-21-7-8(22-10)14(4)24(17,18)13(7)3/h5-10H,1-4H3/t5-,6+,7-,8+,9?,10?
InChIKeyQEGUSJJJVJHYON-QGPWORDESA-N
XLogP-2.72
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-2.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1[C@@H]2OC(C3O[C@@H]4[C@H](O3)N(C)S(=O)(=O)N4C)O[C@@H]2N(C)S1(=O)=O.
What is the InChIKey of (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?
The InChIKey is QEGUSJJJVJHYON-QGPWORDESA-N. The full InChI is InChI=1S/C10H18N4O8S2/c1-11-5-6(12(2)23(11,15)16)20-9(19-5)10-21-7-8(22-10)14(4)24(17,18)13(7)3/h5-10H,1-4H3/t5-,6+,7-,8+,9?,10?.
What are the key properties of (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?
(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 has a molecular weight of 386.41 g/mol, XLogP of -2.72, 1 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)-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 is sourced from PubChem (CID 1256239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).