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

C11H17N3O3S — CID 118613873

IUPAC2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCC(C)n1c(S(=O)(=O)C2CC2)nc2c1CN(O)C2
InChIInChI=1S/C11H17N3O3S/c1-7(2)14-10-6-13(15)5-9(10)12-11(14)18(16,17)8-3-4-8/h7-8,15H,3-6H2,1-2H3
InChIKeyXMKNPUMJQUPKMK-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.10
Rot. Bonds3

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

2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613873) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613873
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCC(C)n1c(S(=O)(=O)C2CC2)nc2c1CN(O)C2
InChIInChI=1S/C11H17N3O3S/c1-7(2)14-10-6-13(15)5-9(10)12-11(14)18(16,17)8-3-4-8/h7-8,15H,3-6H2,1-2H3
InChIKeyXMKNPUMJQUPKMK-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613873) is 2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole is CC(C)n1c(S(=O)(=O)C2CC2)nc2c1CN(O)C2.
What is the InChIKey of 2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is XMKNPUMJQUPKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(2)14-10-6-13(15)5-9(10)12-11(14)18(16,17)8-3-4-8/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole?
2-cyclopropylsulfonyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 271.34 g/mol, XLogP of 1.10, 3 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-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).