tert-butyl 2-cyclopentylsulfonylacetate

C11H20O4S — CID 73425315

IUPACtert-butyl 2-cyclopentylsulfonylacetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H20O4S/c1-11(2,3)15-10(12)8-16(13,14)9-6-4-5-7-9/h9H,4-8H2,1-3H3
InChIKeyQEVQLSFVVQTTCB-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.69
Rot. Bonds3

About tert-butyl 2-cyclopentylsulfonylacetate

tert-butyl 2-cyclopentylsulfonylacetate (PubChem CID 73425315) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is tert-butyl 2-cyclopentylsulfonylacetate.

Molecular Properties

Compound Nametert-butyl 2-cyclopentylsulfonylacetate
PubChem CID73425315
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Nametert-butyl 2-cyclopentylsulfonylacetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H20O4S/c1-11(2,3)15-10(12)8-16(13,14)9-6-4-5-7-9/h9H,4-8H2,1-3H3
InChIKeyQEVQLSFVVQTTCB-UHFFFAOYSA-N
XLogP1.69
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-cyclohexylsulfonylpropanoate
CID 116662463
tert-butyl 2-(2-aminocyclooctyl)sulfonylacetate
CID 116687659
2-cyclohexylsulfonylethaneperoxoic acid
CID 163740166
tert-butyl 2-[2-(ethylamino)cyclohexyl]sulfonylacetate
CID 116687629
tert-butyl 2-[2-(ethylamino)cycloheptyl]sulfonylacetate
CID 116687573
tert-butyl 2-(2-cyanocyclopentyl)sulfonylacetate
CID 116688154
tert-butyl 2-(2-amino-3,3-dimethylcyclohexyl)sulfonylacetate
CID 116687561
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119606077
tert-butyl 2-[(1R,2S)-1-(2-cyclopropylsulfonylacetyl)-2-ethenylcyclopropyl]acetate
CID 58558877
1-cyclopentylsulfonyl-2-methylpropan-2-ol
CID 111435418
tert-butyl N-[1-(2-cyclopentylsulfonylacetyl)-3,3-dimethylpiperidin-4-yl]carbamate
CID 119038140

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclopentylsulfonylacetate?
The IUPAC name of tert-butyl 2-cyclopentylsulfonylacetate (CID 73425315) is tert-butyl 2-cyclopentylsulfonylacetate.
What is the SMILES notation for tert-butyl 2-cyclopentylsulfonylacetate?
The canonical SMILES for tert-butyl 2-cyclopentylsulfonylacetate is CC(C)(C)OC(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of tert-butyl 2-cyclopentylsulfonylacetate?
The InChIKey is QEVQLSFVVQTTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-11(2,3)15-10(12)8-16(13,14)9-6-4-5-7-9/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-cyclopentylsulfonylacetate?
tert-butyl 2-cyclopentylsulfonylacetate has a molecular weight of 248.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclopentylsulfonylacetate is sourced from PubChem (CID 73425315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).