(2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran

C16H22O3S — CID 15231931

IUPAC(2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran
SMILESCC[C@H]1O[C@@H](C(C)S(=O)(=O)c2ccccc2)CC=C1C
InChIInChI=1S/C16H22O3S/c1-4-15-12(2)10-11-16(19-15)13(3)20(17,18)14-8-6-5-7-9-14/h5-10,13,15-16H,4,11H2,1-3H3/t13?,15-,16-/m1/s1
InChIKeyODMMUKQBLCQQRR-GNHXQJIDSA-N
MW294.42 g/mol
LogP3.36
Rot. Bonds4

About (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran

(2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran (PubChem CID 15231931) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran
PubChem CID15231931
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name(2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran
SMILESCC[C@H]1O[C@@H](C(C)S(=O)(=O)c2ccccc2)CC=C1C
InChIInChI=1S/C16H22O3S/c1-4-15-12(2)10-11-16(19-15)13(3)20(17,18)14-8-6-5-7-9-14/h5-10,13,15-16H,4,11H2,1-3H3/t13?,15-,16-/m1/s1
InChIKeyODMMUKQBLCQQRR-GNHXQJIDSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethoxyethylsulfonylbenzene
CID 44377531
2-Prop-2-enoxyprop-2-enylsulfonylbenzene
CID 12808968
1-[(E)-2-[(E)-but-2-enoxy]but-2-enyl]sulfonyl-4-methylbenzene
CID 13146840
1-Methyl-4-[3-methyl-2-(3-methylbut-2-enoxy)but-2-enyl]sulfonylbenzene
CID 13249890
1-[2-(2-Cyclohexylideneethoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13249891
1-[2-Cyclohexylidene-2-(3-methylbut-2-enoxy)ethyl]sulfonyl-4-methylbenzene
CID 13249892
1-[2-(3-Ethylpent-2-enoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13842669
1-Methyl-4-[3-methyl-2-(4-methyl-3-propan-2-ylpent-2-enoxy)but-2-enyl]sulfonylbenzene
CID 13842670
1-[3-Ethyl-2-(3-methylbut-2-enoxy)pent-2-enyl]sulfonyl-4-methylbenzene
CID 13842676
1-[3-Ethyl-2-(3-ethylpent-2-enoxy)pent-2-enyl]sulfonyl-4-methylbenzene
CID 13842677
1-(2-Cyclohexylidene-2-prop-2-enoxyethyl)sulfonyl-4-methylbenzene
CID 13842679
(4-Ethoxycyclohexen-1-yl)sulfonylbenzene
CID 13897760

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran (CID 15231931) is (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran is CC[C@H]1O[C@@H](C(C)S(=O)(=O)c2ccccc2)CC=C1C.
What is the InChIKey of (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran?
The InChIKey is ODMMUKQBLCQQRR-GNHXQJIDSA-N. The full InChI is InChI=1S/C16H22O3S/c1-4-15-12(2)10-11-16(19-15)13(3)20(17,18)14-8-6-5-7-9-14/h5-10,13,15-16H,4,11H2,1-3H3/t13?,15-,16-/m1/s1.
What are the key properties of (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran?
(2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran has a molecular weight of 294.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-[1-(benzenesulfonyl)ethyl]-6-ethyl-5-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 15231931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).