1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide

C12H20F2N2O3S — CID 128585607

IUPAC1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESCCN1CC(NS(=O)(=O)CC2CCCC2(F)F)CC1=O
InChIInChI=1S/C12H20F2N2O3S/c1-2-16-7-10(6-11(16)17)15-20(18,19)8-9-4-3-5-12(9,13)14/h9-10,15H,2-8H2,1H3
InChIKeySOGQPMYULBXANI-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.96
Rot. Bonds5

About 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide

1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide (PubChem CID 128585607) has the molecular formula C12H20F2N2O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide
PubChem CID128585607
Molecular FormulaC12H20F2N2O3S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide
SMILESCCN1CC(NS(=O)(=O)CC2CCCC2(F)F)CC1=O
InChIInChI=1S/C12H20F2N2O3S/c1-2-16-7-10(6-11(16)17)15-20(18,19)8-9-4-3-5-12(9,13)14/h9-10,15H,2-8H2,1H3
InChIKeySOGQPMYULBXANI-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide (CID 128585607) is 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide is CCN1CC(NS(=O)(=O)CC2CCCC2(F)F)CC1=O.
What is the InChIKey of 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
The InChIKey is SOGQPMYULBXANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3S/c1-2-16-7-10(6-11(16)17)15-20(18,19)8-9-4-3-5-12(9,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide?
1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide has a molecular weight of 310.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopentyl)-N-(1-ethyl-5-oxopyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 128585607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).