2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole

C9H13N3O3S — CID 118613869

IUPAC2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(S(=O)(=O)C2CC2)nc2c1CN(O)C2
InChIInChI=1S/C9H13N3O3S/c1-11-8-5-12(13)4-7(8)10-9(11)16(14,15)6-2-3-6/h6,13H,2-5H2,1H3
InChIKeyBMXYROWWNSLITL-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.06
Rot. Bonds2

About 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole

2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613869) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613869
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(S(=O)(=O)C2CC2)nc2c1CN(O)C2
InChIInChI=1S/C9H13N3O3S/c1-11-8-5-12(13)4-7(8)10-9(11)16(14,15)6-2-3-6/h6,13H,2-5H2,1H3
InChIKeyBMXYROWWNSLITL-UHFFFAOYSA-N
XLogP0.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.06
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
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
3-Ethyl-5-hydroxy-2-propan-2-ylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613870
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
2-Cyclopropylsulfonyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613882
2-Ethylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613903

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613869) is 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1c(S(=O)(=O)C2CC2)nc2c1CN(O)C2.
What is the InChIKey of 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is BMXYROWWNSLITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-11-8-5-12(13)4-7(8)10-9(11)16(14,15)6-2-3-6/h6,13H,2-5H2,1H3.
What are the key properties of 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 243.29 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).