(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol

C15H22O4S — CID 10469985

IUPAC(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol
SMILESCCCC1(O)O[C@@H](C)CC1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22O4S/c1-4-9-15(16)14(10-12(3)19-15)20(17,18)13-7-5-11(2)6-8-13/h5-8,12,14,16H,4,9-10H2,1-3H3/t12-,14?,15?/m0/s1
InChIKeyJJKZVXSZXKFEAW-GRTSSRMGSA-N
MW298.40 g/mol
LogP2.43
Rot. Bonds4

About (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol

(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol (PubChem CID 10469985) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol.

Molecular Properties

Compound Name(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol
PubChem CID10469985
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol
SMILESCCCC1(O)O[C@@H](C)CC1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22O4S/c1-4-9-15(16)14(10-12(3)19-15)20(17,18)13-7-5-11(2)6-8-13/h5-8,12,14,16H,4,9-10H2,1-3H3/t12-,14?,15?/m0/s1
InChIKeyJJKZVXSZXKFEAW-GRTSSRMGSA-N
XLogP2.43
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol?
The IUPAC name of (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol (CID 10469985) is (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol.
What is the SMILES notation for (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol?
The canonical SMILES for (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol is CCCC1(O)O[C@@H](C)CC1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol?
The InChIKey is JJKZVXSZXKFEAW-GRTSSRMGSA-N. The full InChI is InChI=1S/C15H22O4S/c1-4-9-15(16)14(10-12(3)19-15)20(17,18)13-7-5-11(2)6-8-13/h5-8,12,14,16H,4,9-10H2,1-3H3/t12-,14?,15?/m0/s1.
What are the key properties of (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol?
(5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol has a molecular weight of 298.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-(4-methylphenyl)sulfonyl-2-propyloxolan-2-ol is sourced from PubChem (CID 10469985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).