ethyl 1-ethylsulfonylcyclopentane-1-carboxylate

C10H18O4S — CID 99996901

IUPACethyl 1-ethylsulfonylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)CC)CCCC1
InChIInChI=1S/C10H18O4S/c1-3-14-9(11)10(7-5-6-8-10)15(12,13)4-2/h3-8H2,1-2H3
InChIKeyJSWSXHUUMGCOOA-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.30
Rot. Bonds4

About ethyl 1-ethylsulfonylcyclopentane-1-carboxylate

ethyl 1-ethylsulfonylcyclopentane-1-carboxylate (PubChem CID 99996901) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is ethyl 1-ethylsulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethylsulfonylcyclopentane-1-carboxylate
PubChem CID99996901
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Nameethyl 1-ethylsulfonylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)CC)CCCC1
InChIInChI=1S/C10H18O4S/c1-3-14-9(11)10(7-5-6-8-10)15(12,13)4-2/h3-8H2,1-2H3
InChIKeyJSWSXHUUMGCOOA-UHFFFAOYSA-N
XLogP1.30
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-ethylsulfonylcyclopentane-1-carboxylate 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

ethyl 1-methylsulfonylcyclopentane-1-carboxylate
CID 99996897
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
8a-ethoxycarbonyl-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carboxylic acid
CID 12859727
ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate
CID 146442008
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
CID 154629380
CID 154629380
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979
cis-(1S,2R)-2-ethoxycarbonyl-1,2-dimethylcyclohexane-1-carboxylic acid
CID 175835686
trans-ethyl (1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylate
CID 163065190
ethyl 1-ethyl-2-oxocyclododecane-1-carboxylate
CID 12013534
ethyl 1-ethyl-2-oxocycloheptane-1-carboxylate
CID 15074127

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethylsulfonylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-ethylsulfonylcyclopentane-1-carboxylate (CID 99996901) is ethyl 1-ethylsulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-ethylsulfonylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-ethylsulfonylcyclopentane-1-carboxylate is CCOC(=O)C1(S(=O)(=O)CC)CCCC1.
What is the InChIKey of ethyl 1-ethylsulfonylcyclopentane-1-carboxylate?
The InChIKey is JSWSXHUUMGCOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-3-14-9(11)10(7-5-6-8-10)15(12,13)4-2/h3-8H2,1-2H3.
What are the key properties of ethyl 1-ethylsulfonylcyclopentane-1-carboxylate?
ethyl 1-ethylsulfonylcyclopentane-1-carboxylate has a molecular weight of 234.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethylsulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 99996901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).