1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

C12H20F2N2O3S — CID 136539265

IUPAC1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H20F2N2O3S/c1-15-20(18,19)8-10-3-2-6-16(10)11(17)9-4-5-12(13,14)7-9/h9-10,15H,2-8H2,1H3
InChIKeyKTBSYUOTOVNBDW-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.96
Rot. Bonds4

About 1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 136539265) has the molecular formula C12H20F2N2O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID136539265
Molecular FormulaC12H20F2N2O3S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H20F2N2O3S/c1-15-20(18,19)8-10-3-2-6-16(10)11(17)9-4-5-12(13,14)7-9/h9-10,15H,2-8H2,1H3
InChIKeyKTBSYUOTOVNBDW-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 136539265) is 1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1CCCN1C(=O)C1CCC(F)(F)C1.
What is the InChIKey of 1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is KTBSYUOTOVNBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3S/c1-15-20(18,19)8-10-3-2-6-16(10)11(17)9-4-5-12(13,14)7-9/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 310.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-difluorocyclopentanecarbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 136539265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).