4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane

C10H18O3S — CID 123142351

IUPAC4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane
SMILESC=C1CCC(S(=O)(=O)CC)CC1OC
InChIInChI=1S/C10H18O3S/c1-4-14(11,12)9-6-5-8(2)10(7-9)13-3/h9-10H,2,4-7H2,1,3H3
InChIKeyKFLVNEKQYRRWRU-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.54
Rot. Bonds3

About 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane

4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane (PubChem CID 123142351) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane.

Molecular Properties

Compound Name4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane
PubChem CID123142351
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane
SMILESC=C1CCC(S(=O)(=O)CC)CC1OC
InChIInChI=1S/C10H18O3S/c1-4-14(11,12)9-6-5-8(2)10(7-9)13-3/h9-10H,2,4-7H2,1,3H3
InChIKeyKFLVNEKQYRRWRU-UHFFFAOYSA-N
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane 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

1-ethylsulfonyl-4-methylidenecyclohexane
CID 90906328
(3-methoxy-4-methylidenecyclohexyl) carbamate
CID 91337664
ethylsulfonylcyclopropane
CID 12063392
1-ethylsulfonyl-3-methylidenecyclohexane
CID 91572063
1-ethylsulfonyl-3-fluorocyclohexane
CID 66796442
trans-(1S,3S)-3-ethylsulfonylcyclopentane-1-carboxylic acid
CID 99998180
2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane
CID 123780725
2-ethoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
CID 162686808
3-ethylsulfonyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 72716338
(6R)-6-ethylsulfonylpiperidin-2-one
CID 99990598
[(2S)-5-oxopyrrolidin-2-yl] ethanesulfonate
CID 174736299
ethyl (1S)-2-methylidenecyclobutane-1-carboxylate
CID 66915598

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane?
The IUPAC name of 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane (CID 123142351) is 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane.
What is the SMILES notation for 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane?
The canonical SMILES for 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane is C=C1CCC(S(=O)(=O)CC)CC1OC.
What is the InChIKey of 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane?
The InChIKey is KFLVNEKQYRRWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-4-14(11,12)9-6-5-8(2)10(7-9)13-3/h9-10H,2,4-7H2,1,3H3.
What are the key properties of 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane?
4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane has a molecular weight of 218.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-methoxy-1-methylidenecyclohexane is sourced from PubChem (CID 123142351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).