2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C9H13N3O2S — CID 118613972

IUPAC2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1c(S(=O)(=O)C2CC2)nc2c1CNC2
InChIInChI=1S/C9H13N3O2S/c1-12-8-5-10-4-7(8)11-9(12)15(13,14)6-2-3-6/h6,10H,2-5H2,1H3
InChIKeyDEXXAMPOOKTYGZ-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.04
Rot. Bonds2

About 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 118613972) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID118613972
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1c(S(=O)(=O)C2CC2)nc2c1CNC2
InChIInChI=1S/C9H13N3O2S/c1-12-8-5-10-4-7(8)11-9(12)15(13,14)6-2-3-6/h6,10H,2-5H2,1H3
InChIKeyDEXXAMPOOKTYGZ-UHFFFAOYSA-N
XLogP-0.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
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
9-Thia-1,4,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene
CID 118613878

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 118613972) is 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is Cn1c(S(=O)(=O)C2CC2)nc2c1CNC2.
What is the InChIKey of 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is DEXXAMPOOKTYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-12-8-5-10-4-7(8)11-9(12)15(13,14)6-2-3-6/h6,10H,2-5H2,1H3.
What are the key properties of 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 227.29 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).