ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate

C10H18FNO4S — CID 68785208

IUPACethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C10H18FNO4S/c1-4-16-9(13)10(2,3)17(14,15)12-6-5-8(11)7-12/h8H,4-7H2,1-3H3
InChIKeyWSTMLMUBYALTPM-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.70
Rot. Bonds4

About ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate

ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate (PubChem CID 68785208) has the molecular formula C10H18FNO4S and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate
PubChem CID68785208
Molecular FormulaC10H18FNO4S
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Nameethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C10H18FNO4S/c1-4-16-9(13)10(2,3)17(14,15)12-6-5-8(11)7-12/h8H,4-7H2,1-3H3
InChIKeyWSTMLMUBYALTPM-UHFFFAOYSA-N
XLogP0.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-tert-butylsulfonylpiperidine-3-carboxylate
CID 115536187
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanoate
CID 115561599
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 2-amino-2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoate
CID 81199412
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
ethyl 2-methyl-2-(3-piperidin-4-ylpiperidin-1-yl)propanoate;dihydrochloride
CID 169290078
ethyl 2-(aminomethyl)-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butanoate
CID 106487613
ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103538027
ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
CID 62917298
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
1-ethoxy-2-fluoro-1-oxopropane-2-sulfonic acid
CID 90268260
ethyl 2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanoate
CID 59253287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate?
The IUPAC name of ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate (CID 68785208) is ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate is CCOC(=O)C(C)(C)S(=O)(=O)N1CCC(F)C1.
What is the InChIKey of ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate?
The InChIKey is WSTMLMUBYALTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4S/c1-4-16-9(13)10(2,3)17(14,15)12-6-5-8(11)7-12/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate?
ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate has a molecular weight of 267.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoropyrrolidin-1-yl)sulfonyl-2-methylpropanoate is sourced from PubChem (CID 68785208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).