3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol

C10H18N2O3S — CID 115820431

IUPAC3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol
SMILESCn1ccnc1CC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-10(2,16(4,14)15)8(13)7-9-11-5-6-12(9)3/h5-6,8,13H,7H2,1-4H3
InChIKeyCDBPKWGQMQXPEI-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.15
Rot. Bonds4

About 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol

3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol (PubChem CID 115820431) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol
PubChem CID115820431
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol
SMILESCn1ccnc1CC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H18N2O3S/c1-10(2,16(4,14)15)8(13)7-9-11-5-6-12(9)3/h5-6,8,13H,7H2,1-4H3
InChIKeyCDBPKWGQMQXPEI-UHFFFAOYSA-N
XLogP0.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol
CID 79751999
3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116752394
2-(3-bromo-2-methylpropyl)-1-methylimidazole
CID 64671780
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
2-[(1-methylimidazol-2-yl)methylsulfamoyl]propanoic acid
CID 63293623
3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116711834
2-(ethylsulfonylmethyl)-1-methylimidazole
CID 117187200
(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 14269784
2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
CID 90239240
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 115838049
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol?
The IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol (CID 115820431) is 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol is Cn1ccnc1CC(O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol?
The InChIKey is CDBPKWGQMQXPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(2,16(4,14)15)8(13)7-9-11-5-6-12(9)3/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol?
3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol has a molecular weight of 246.33 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol is sourced from PubChem (CID 115820431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).