(5-methyl-1H-imidazol-2-yl)sulfonylmethanol

C5H8N2O3S — CID 19030999

IUPAC(5-methyl-1H-imidazol-2-yl)sulfonylmethanol
SMILESCc1cnc(S(=O)(=O)CO)[nH]1
InChIInChI=1S/C5H8N2O3S/c1-4-2-6-5(7-4)11(9,10)3-8/h2,8H,3H2,1H3,(H,6,7)
InChIKeyXNBOHKWTPXZSJJ-UHFFFAOYSA-N
MW176.20 g/mol
LogP-0.56
Rot. Bonds2

About (5-methyl-1H-imidazol-2-yl)sulfonylmethanol

(5-methyl-1H-imidazol-2-yl)sulfonylmethanol (PubChem CID 19030999) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-2-yl)sulfonylmethanol.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-2-yl)sulfonylmethanol
PubChem CID19030999
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name(5-methyl-1H-imidazol-2-yl)sulfonylmethanol
SMILESCc1cnc(S(=O)(=O)CO)[nH]1
InChIInChI=1S/C5H8N2O3S/c1-4-2-6-5(7-4)11(9,10)3-8/h2,8H,3H2,1H3,(H,6,7)
InChIKeyXNBOHKWTPXZSJJ-UHFFFAOYSA-N
XLogP-0.56
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-2-yl)sulfonylmethanol?
The IUPAC name of (5-methyl-1H-imidazol-2-yl)sulfonylmethanol (CID 19030999) is (5-methyl-1H-imidazol-2-yl)sulfonylmethanol.
What is the SMILES notation for (5-methyl-1H-imidazol-2-yl)sulfonylmethanol?
The canonical SMILES for (5-methyl-1H-imidazol-2-yl)sulfonylmethanol is Cc1cnc(S(=O)(=O)CO)[nH]1.
What is the InChIKey of (5-methyl-1H-imidazol-2-yl)sulfonylmethanol?
The InChIKey is XNBOHKWTPXZSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-4-2-6-5(7-4)11(9,10)3-8/h2,8H,3H2,1H3,(H,6,7).
What are the key properties of (5-methyl-1H-imidazol-2-yl)sulfonylmethanol?
(5-methyl-1H-imidazol-2-yl)sulfonylmethanol has a molecular weight of 176.20 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-2-yl)sulfonylmethanol is sourced from PubChem (CID 19030999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).