methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate

C13H21F2NO5S — CID 126820884

IUPACmethyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate
SMILESCOC(=O)CC1(NS(=O)(=O)CCOC2CC2(F)F)CCCC1
InChIInChI=1S/C13H21F2NO5S/c1-20-11(17)9-12(4-2-3-5-12)16-22(18,19)7-6-21-10-8-13(10,14)15/h10,16H,2-9H2,1H3
InChIKeyIPLJGVBQXROHGX-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.21
Rot. Bonds8

About methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate

methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate (PubChem CID 126820884) has the molecular formula C13H21F2NO5S and a molecular weight of 341.38 g/mol. Its IUPAC name is methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate
PubChem CID126820884
Molecular FormulaC13H21F2NO5S
Molecular Weight341.38 g/mol
Exact Mass341.11
IUPAC Namemethyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate
SMILESCOC(=O)CC1(NS(=O)(=O)CCOC2CC2(F)F)CCCC1
InChIInChI=1S/C13H21F2NO5S/c1-20-11(17)9-12(4-2-3-5-12)16-22(18,19)7-6-21-10-8-13(10,14)15/h10,16H,2-9H2,1H3
InChIKeyIPLJGVBQXROHGX-UHFFFAOYSA-N
XLogP1.21
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
CID 79846124
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 114293958
methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
CID 115902866
methyl 2-[8-(methylamino)spiro[4.5]decan-8-yl]acetate
CID 114820854
N-[1-(aminomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290111
N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide
CID 114293779
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
methyl 2-(2,2-difluorocyclopropyl)acetate
CID 146229342
N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
CID 115903061

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate?
The IUPAC name of methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate (CID 126820884) is methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate is COC(=O)CC1(NS(=O)(=O)CCOC2CC2(F)F)CCCC1.
What is the InChIKey of methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate?
The InChIKey is IPLJGVBQXROHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO5S/c1-20-11(17)9-12(4-2-3-5-12)16-22(18,19)7-6-21-10-8-13(10,14)15/h10,16H,2-9H2,1H3.
What are the key properties of methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate?
methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate has a molecular weight of 341.38 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate is sourced from PubChem (CID 126820884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).