(1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol

C15H20N2O3S — CID 97243123

IUPAC(1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol
SMILESCCCc1nccn1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-3-4-15-16-9-10-17(15)11-14(18)12-5-7-13(8-6-12)21(2,19)20/h5-10,14,18H,3-4,11H2,1-2H3/t14-/m1/s1
InChIKeyOYHUSFCYVPQCMS-CQSZACIVSA-N
MW308.40 g/mol
LogP1.97
Rot. Bonds6

About (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol

(1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol (PubChem CID 97243123) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol
PubChem CID97243123
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol
SMILESCCCc1nccn1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-3-4-15-16-9-10-17(15)11-14(18)12-5-7-13(8-6-12)21(2,19)20/h5-10,14,18H,3-4,11H2,1-2H3/t14-/m1/s1
InChIKeyOYHUSFCYVPQCMS-CQSZACIVSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol?
The IUPAC name of (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol (CID 97243123) is (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol?
The canonical SMILES for (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol is CCCc1nccn1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol?
The InChIKey is OYHUSFCYVPQCMS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-4-15-16-9-10-17(15)11-14(18)12-5-7-13(8-6-12)21(2,19)20/h5-10,14,18H,3-4,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol?
(1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol has a molecular weight of 308.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol is sourced from PubChem (CID 97243123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).