(3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one

C7H14N4O3S — CID 7206115

IUPAC(3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
SMILESCN1C(=O)N(C)[C@@H]2[C@H]1N(C)S(=O)(=O)N2C
InChIInChI=1S/C7H14N4O3S/c1-8-5-6(9(2)7(8)12)11(4)15(13,14)10(5)3/h5-6H,1-4H3/t5-,6+
InChIKeyLYHDDQSUMYQBNO-OLQVQODUSA-N
MW234.28 g/mol
LogP-1.24
Rot. Bonds

About (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one

(3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one (PubChem CID 7206115) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one.

Molecular Properties

Compound Name(3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
PubChem CID7206115
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name(3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
SMILESCN1C(=O)N(C)[C@@H]2[C@H]1N(C)S(=O)(=O)N2C
InChIInChI=1S/C7H14N4O3S/c1-8-5-6(9(2)7(8)12)11(4)15(13,14)10(5)3/h5-6H,1-4H3/t5-,6+
InChIKeyLYHDDQSUMYQBNO-OLQVQODUSA-N
XLogP-1.24
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-4-[2-[(3aS,6aS)-1,3,6-trimethyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-4-yl]ethyl]-1,3,6-trimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 124894058
4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione
CID 5159286
(3aS,6aR)-3,4,6-trimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 783880
4,5-difluoro-1,3-dimethylimidazolidin-2-one
CID 150532585
5,7,13,15,21,23,29,31,37,39,45,47-dodecamethyl-49,50,51,52,53,54-hexakis(sulfanylidene)-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosazatridecacyclo[41.5.1.13,9.111,17.119,25.127,33.135,41.04,8.012,16.020,24.028,32.036,40.044,48]tetrapentacontane-6,14,22,30,38,46-hexone
CID 132562136
(3aR,6aR)-3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 832248
3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 646967
1,3-dimethyl-4-oxo-1,3-diazetidine-2-carbaldehyde
CID 163948351
5-(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 535946
(3aS,6aR)-3,4,6-tris(hydroxymethyl)-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 1254938
5,7-dibutyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 118596999
3-[(3aR,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]propanoate
CID 6921327

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one?
The IUPAC name of (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one (CID 7206115) is (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one.
What is the SMILES notation for (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one?
The canonical SMILES for (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one is CN1C(=O)N(C)[C@@H]2[C@H]1N(C)S(=O)(=O)N2C.
What is the InChIKey of (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one?
The InChIKey is LYHDDQSUMYQBNO-OLQVQODUSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-8-5-6(9(2)7(8)12)11(4)15(13,14)10(5)3/h5-6H,1-4H3/t5-,6+.
What are the key properties of (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one?
(3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one has a molecular weight of 234.28 g/mol, XLogP of -1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-1,3,4,6-tetramethyl-2,2-dioxo-3a,6a-dihydroimidazo[4,5-c][1,2,5]thiadiazol-5-one is sourced from PubChem (CID 7206115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).