[2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol

C6H10N2O3S — CID 63108337

IUPAC[2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol
SMILESCS(=O)(=O)Cc1ncc(CO)[nH]1
InChIInChI=1S/C6H10N2O3S/c1-12(10,11)4-6-7-2-5(3-9)8-6/h2,9H,3-4H2,1H3,(H,7,8)
InChIKeyUGPQMUDDZGTKQI-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.55
Rot. Bonds3

About [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol

[2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol (PubChem CID 63108337) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol
PubChem CID63108337
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name[2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol
SMILESCS(=O)(=O)Cc1ncc(CO)[nH]1
InChIInChI=1S/C6H10N2O3S/c1-12(10,11)4-6-7-2-5(3-9)8-6/h2,9H,3-4H2,1H3,(H,7,8)
InChIKeyUGPQMUDDZGTKQI-UHFFFAOYSA-N
XLogP-0.55
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol (CID 63108337) is [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol is CS(=O)(=O)Cc1ncc(CO)[nH]1.
What is the InChIKey of [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is UGPQMUDDZGTKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-12(10,11)4-6-7-2-5(3-9)8-6/h2,9H,3-4H2,1H3,(H,7,8).
What are the key properties of [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol?
[2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 190.22 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylsulfonylmethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 63108337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).