ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate

C13H24O5S — CID 59253209

IUPACethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)C1CCC(OC)CC1
InChIInChI=1S/C13H24O5S/c1-5-18-12(14)13(2,3)19(15,16)11-8-6-10(17-4)7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyOFJPJSNINGYSLF-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.70
Rot. Bonds5

About ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate

ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate (PubChem CID 59253209) has the molecular formula C13H24O5S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate
PubChem CID59253209
Molecular FormulaC13H24O5S
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Nameethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)C1CCC(OC)CC1
InChIInChI=1S/C13H24O5S/c1-5-18-12(14)13(2,3)19(15,16)11-8-6-10(17-4)7-9-11/h10-11H,5-9H2,1-4H3
InChIKeyOFJPJSNINGYSLF-UHFFFAOYSA-N
XLogP1.70
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate 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

Propan-2-yl 2-methylsulfonylhexanoate
CID 57638442
Ethyl 2-(4-methoxycyclohexyl)sulfanyl-2-methylpropanoate
CID 59253164
2-(4-Methoxy-cyclohexanesulfonyl)-2-methyl-propionic acid
CID 59253288
Ethyl 2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanoate
CID 59268024
2-Methyl-2-(tetrahydro-pyran-4-sulfonyl)-propionic acid ethyl ester
CID 59703977
Ethyl 2-(cyclohexylsulfonyl)-2-methylpropanoate
CID 59704012
Cyclohexyl 2-methyl-2-propylsulfanylpropanoate
CID 71197460
Ethyl 2-(4-methoxycyclohexyl)sulfinyl-2-methylpropanoate
CID 71231703
2-(4-Hydroxycyclohexyl)sulfonyl-2-methylpropanoic acid
CID 71231707
Cyclohexyl 2-methoxysulfonylacetate
CID 90222359
(4-Methylsulfonylcyclohexyl) acetate
CID 140418788
(4-Ethylsulfonylcyclohexyl) methyl carbonate
CID 142152111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate?
The IUPAC name of ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate (CID 59253209) is ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate is CCOC(=O)C(C)(C)S(=O)(=O)C1CCC(OC)CC1.
What is the InChIKey of ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate?
The InChIKey is OFJPJSNINGYSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5S/c1-5-18-12(14)13(2,3)19(15,16)11-8-6-10(17-4)7-9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate?
ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate has a molecular weight of 292.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoate is sourced from PubChem (CID 59253209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).