(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one

C7H14N4O3S — CID 1492482

IUPAC(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
SMILESCCN1C(=O)N(CC)[C@@H]2NS(=O)(=O)N[C@H]21
InChIInChI=1S/C7H14N4O3S/c1-3-10-5-6(9-15(13,14)8-5)11(4-2)7(10)12/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUPJYOTWLCIPDPJ-WDSKDSINSA-N
MW234.28 g/mol
LogP-1.15
Rot. Bonds2

About (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one

(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one (PubChem CID 1492482) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one.

Molecular Properties

Compound Name(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
PubChem CID1492482
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
SMILESCCN1C(=O)N(CC)[C@@H]2NS(=O)(=O)N[C@H]21
InChIInChI=1S/C7H14N4O3S/c1-3-10-5-6(9-15(13,14)8-5)11(4-2)7(10)12/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUPJYOTWLCIPDPJ-WDSKDSINSA-N
XLogP-1.15
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one with MolForge

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Related Compounds

(3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 698690
1,4-diethyl-3-methylazetidin-2-one
CID 123697315
1,3-diethyl-4,5-dimethoxyimidazolidin-2-one
CID 143815400
2-ethyl-6-methyl-2,6-diaza-4-phosphoniaspiro[3.3]heptane-1,3,5,7-tetrone;vanadium
CID 157095936
1,4-diethyl-1,3-diazetidin-2-one;ethane
CID 142054543
(3aR,6aS)-4-ethyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 702901
(3aR,6aR)-4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 726237
1-ethyl-5-methylimidazolidine-2,4-dione
CID 19007953
(2R,6S)-3,5-diethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione;methanol
CID 139200287
1,3-diethyl-5-phenyl-5,6,8,8a-tetrahydro-4aH-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 74925915
1-ethyl-3,5-dihydroxyimidazolidine-2,4-dione
CID 66586311
1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 3665151

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one?
The IUPAC name of (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one (CID 1492482) is (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one.
What is the SMILES notation for (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one?
The canonical SMILES for (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one is CCN1C(=O)N(CC)[C@@H]2NS(=O)(=O)N[C@H]21.
What is the InChIKey of (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one?
The InChIKey is UPJYOTWLCIPDPJ-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-3-10-5-6(9-15(13,14)8-5)11(4-2)7(10)12/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one?
(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one has a molecular weight of 234.28 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one is sourced from PubChem (CID 1492482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).