(1-methyl-5-methylsulfinylimidazol-2-yl)methanol

C6H10N2O2S — CID 130128844

IUPAC(1-methyl-5-methylsulfinylimidazol-2-yl)methanol
SMILESCn1c(S(C)=O)cnc1CO
InChIInChI=1S/C6H10N2O2S/c1-8-5(4-9)7-3-6(8)11(2)10/h3,9H,4H2,1-2H3
InChIKeyUUFVEISKYQBXBS-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.35
Rot. Bonds2

About (1-methyl-5-methylsulfinylimidazol-2-yl)methanol

(1-methyl-5-methylsulfinylimidazol-2-yl)methanol (PubChem CID 130128844) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is (1-methyl-5-methylsulfinylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-5-methylsulfinylimidazol-2-yl)methanol
PubChem CID130128844
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name(1-methyl-5-methylsulfinylimidazol-2-yl)methanol
SMILESCn1c(S(C)=O)cnc1CO
InChIInChI=1S/C6H10N2O2S/c1-8-5(4-9)7-3-6(8)11(2)10/h3,9H,4H2,1-2H3
InChIKeyUUFVEISKYQBXBS-UHFFFAOYSA-N
XLogP-0.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Aminoethyl)thio-2-methylimidazole-1-ethanol
CID 127603
1,2-Dimethyl-4-methylsulfinylimidazole
CID 10558902
1,2-Dimethyl-4-methylsulfonylimidazole
CID 10583371
N-(2,2-difluoroethyl)-1-ethyl-N-(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
CID 107483597
1-ethyl-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 107483760
N-(2-hydroxyethyl)-1,2-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 107483811
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 113964825
4-Ethylsulfonyl-1,2-dimethylimidazole
CID 10511823
1,2-Dimethyl-5-methylsulfonylimidazole
CID 10821119
2-{5-[(2-Aminoethyl)sulfanyl]-2-methyl-1H-imidazol-1-yl}ethan-1-ol
CID 12745940
1-Methyl-4-methylsulfonylimidazole
CID 23383371
1-Methyl-5-methylsulfonylimidazole
CID 58710060

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-methylsulfinylimidazol-2-yl)methanol?
The IUPAC name of (1-methyl-5-methylsulfinylimidazol-2-yl)methanol (CID 130128844) is (1-methyl-5-methylsulfinylimidazol-2-yl)methanol.
What is the SMILES notation for (1-methyl-5-methylsulfinylimidazol-2-yl)methanol?
The canonical SMILES for (1-methyl-5-methylsulfinylimidazol-2-yl)methanol is Cn1c(S(C)=O)cnc1CO.
What is the InChIKey of (1-methyl-5-methylsulfinylimidazol-2-yl)methanol?
The InChIKey is UUFVEISKYQBXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-8-5(4-9)7-3-6(8)11(2)10/h3,9H,4H2,1-2H3.
What are the key properties of (1-methyl-5-methylsulfinylimidazol-2-yl)methanol?
(1-methyl-5-methylsulfinylimidazol-2-yl)methanol has a molecular weight of 174.22 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-methylsulfinylimidazol-2-yl)methanol is sourced from PubChem (CID 130128844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).