[5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol

C7H12N2O3S — CID 14909410

IUPAC[5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol
SMILESCn1c(S(C)=O)nc(CO)c1CO
InChIInChI=1S/C7H12N2O3S/c1-9-6(4-11)5(3-10)8-7(9)13(2)12/h10-11H,3-4H2,1-2H3
InChIKeyPYOQDYKMACKJDV-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.86
Rot. Bonds3

About [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol

[5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol (PubChem CID 14909410) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol
PubChem CID14909410
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name[5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol
SMILESCn1c(S(C)=O)nc(CO)c1CO
InChIInChI=1S/C7H12N2O3S/c1-9-6(4-11)5(3-10)8-7(9)13(2)12/h10-11H,3-4H2,1-2H3
InChIKeyPYOQDYKMACKJDV-UHFFFAOYSA-N
XLogP-0.86
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol (CID 14909410) is [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol is Cn1c(S(C)=O)nc(CO)c1CO.
What is the InChIKey of [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol?
The InChIKey is PYOQDYKMACKJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-9-6(4-11)5(3-10)8-7(9)13(2)12/h10-11H,3-4H2,1-2H3.
What are the key properties of [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol?
[5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol has a molecular weight of 204.25 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1-methyl-2-methylsulfinylimidazol-4-yl]methanol is sourced from PubChem (CID 14909410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).