3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole

C8H13N3O3S — CID 118614260

IUPAC3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(S(C)(=O)=O)nc2c1CN(O)C2
InChIInChI=1S/C8H13N3O3S/c1-3-11-7-5-10(12)4-6(7)9-8(11)15(2,13)14/h12H,3-5H2,1-2H3
InChIKeyVSLZTKWMTKZGSP-UHFFFAOYSA-N
MW231.28 g/mol
LogP0.01
Rot. Bonds2

About 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole

3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614260) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614260
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(S(C)(=O)=O)nc2c1CN(O)C2
InChIInChI=1S/C8H13N3O3S/c1-3-11-7-5-10(12)4-6(7)9-8(11)15(2,13)14/h12H,3-5H2,1-2H3
InChIKeyVSLZTKWMTKZGSP-UHFFFAOYSA-N
XLogP0.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Difluoromethyl)-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613860
3-(difluoromethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118613913
2-methylsulfonyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614192
3-(Difluoromethyl)-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylic acid
CID 174889584
3-Ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613836
5-Hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613837
5-Hydroxy-2-methylsulfonyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613841
3-Ethyl-2-ethylsulfonyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613844
5-Hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613848
3-ethyl-2-ethylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118613852
5-Hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613854
2-Ethylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613864

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614260) is 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole is CCn1c(S(C)(=O)=O)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is VSLZTKWMTKZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-3-11-7-5-10(12)4-6(7)9-8(11)15(2,13)14/h12H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 231.28 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).