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

C10H17N3O3S — CID 118613870

IUPAC3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(S(=O)(=O)C(C)C)nc2c1CN(O)C2
InChIInChI=1S/C10H17N3O3S/c1-4-13-9-6-12(14)5-8(9)11-10(13)17(15,16)7(2)3/h7,14H,4-6H2,1-3H3
InChIKeyXBXBBMPHRGIQQO-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.79
Rot. Bonds3

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

3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613870) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613870
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(S(=O)(=O)C(C)C)nc2c1CN(O)C2
InChIInChI=1S/C10H17N3O3S/c1-4-13-9-6-12(14)5-8(9)11-10(13)17(15,16)7(2)3/h7,14H,4-6H2,1-3H3
InChIKeyXBXBBMPHRGIQQO-UHFFFAOYSA-N
XLogP0.79
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.79
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
2-methylsulfonyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614192
Tert-butyl 3-ethyl-2-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118613831
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
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
5-Hydroxy-3-methyl-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613868
2-Cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613869
5-Hydroxy-3-propan-2-yl-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613872
2-Cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613873

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613870) is 3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole is CCn1c(S(=O)(=O)C(C)C)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is XBXBBMPHRGIQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-4-13-9-6-12(14)5-8(9)11-10(13)17(15,16)7(2)3/h7,14H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
3-ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 259.33 g/mol, XLogP of 0.79, 3 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-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).