2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C7H10N2O2S — CID 3080455

IUPAC2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCS(=O)(=O)c1cn2c(n1)CCC2
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)7-5-9-4-2-3-6(9)8-7/h5H,2-4H2,1H3
InChIKeyXFNAXIDEDHOFSG-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.23
Rot. Bonds1

About 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 3080455) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID3080455
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCS(=O)(=O)c1cn2c(n1)CCC2
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)7-5-9-4-2-3-6(9)8-7/h5H,2-4H2,1H3
InChIKeyXFNAXIDEDHOFSG-UHFFFAOYSA-N
XLogP0.23
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 3080455) is 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CS(=O)(=O)c1cn2c(n1)CCC2.
What is the InChIKey of 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is XFNAXIDEDHOFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-12(10,11)7-5-9-4-2-3-6(9)8-7/h5H,2-4H2,1H3.
What are the key properties of 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 186.24 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 3080455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).