[(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene

C15H20O3S — CID 10356327

IUPAC[(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene
SMILESCC[C@H]1CC[C@H](OC)C=C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20O3S/c1-3-12-9-10-13(18-2)11-15(12)19(16,17)14-7-5-4-6-8-14/h4-8,11-13H,3,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeySKWBNJMDLORLHL-STQMWFEESA-N
MW280.39 g/mol
LogP3.18
Rot. Bonds4

About [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene

[(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene (PubChem CID 10356327) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene
PubChem CID10356327
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name[(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene
SMILESCC[C@H]1CC[C@H](OC)C=C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20O3S/c1-3-12-9-10-13(18-2)11-15(12)19(16,17)14-7-5-4-6-8-14/h4-8,11-13H,3,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeySKWBNJMDLORLHL-STQMWFEESA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene 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

(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol
CID 10038565
1-[2-(Cyclohexen-1-ylmethoxy)-3-methylbut-2-enyl]sulfonyl-4-methylbenzene
CID 13842671
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823
(4R,5S)-4-[1-(benzenesulfonyl)ethenyl]decan-5-ol
CID 14891604
(4R,5R)-4-[1-(benzenesulfonyl)ethenyl]decan-5-ol
CID 14891605
(3R)-1-(benzenesulfonyl)-1-fluoro-3-methylheptan-2-ol
CID 122598735
(3R)-1-(benzenesulfonyl)-1,1-difluoro-3-methylheptan-2-ol
CID 122598739
(2S,3R)-1-(benzenesulfonyl)-1,1-difluoro-3-methylheptan-2-ol
CID 122598741
(2R,3R)-1-(benzenesulfonyl)-1,1-difluoro-3-methylheptan-2-ol
CID 122598742
5-(Benzenesulfonyl)-5-ethenyl-6-fluoro-6-methoxycyclohexa-1,3-diene
CID 142628605
[(3S,6R)-3-methoxy-6-propan-2-ylcyclohexen-1-yl]sulfonylbenzene
CID 9971699
(1S,4S)-3-(benzenesulfonyl)-4-ethylcyclohex-2-en-1-ol
CID 10015780

Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene?
The IUPAC name of [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene (CID 10356327) is [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene.
What is the SMILES notation for [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene?
The canonical SMILES for [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene is CC[C@H]1CC[C@H](OC)C=C1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene?
The InChIKey is SKWBNJMDLORLHL-STQMWFEESA-N. The full InChI is InChI=1S/C15H20O3S/c1-3-12-9-10-13(18-2)11-15(12)19(16,17)14-7-5-4-6-8-14/h4-8,11-13H,3,9-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene?
[(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene has a molecular weight of 280.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene is sourced from PubChem (CID 10356327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).