N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide

C8H14F2N2O3S — CID 118073718

IUPACN-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CNCC1(F)F
InChIInChI=1S/C8H14F2N2O3S/c1-16(14,15)3-2-7(13)12-6-4-11-5-8(6,9)10/h6,11H,2-5H2,1H3,(H,12,13)
InChIKeyKWJIZHBFFSSKHT-UHFFFAOYSA-N
MW256.27 g/mol
LogP-0.86
Rot. Bonds4

About N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide

N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide (PubChem CID 118073718) has the molecular formula C8H14F2N2O3S and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
PubChem CID118073718
Molecular FormulaC8H14F2N2O3S
Molecular Weight256.27 g/mol
Exact Mass256.07
IUPAC NameN-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CNCC1(F)F
InChIInChI=1S/C8H14F2N2O3S/c1-16(14,15)3-2-7(13)12-6-4-11-5-8(6,9)10/h6,11H,2-5H2,1H3,(H,12,13)
InChIKeyKWJIZHBFFSSKHT-UHFFFAOYSA-N
XLogP-0.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide (CID 118073718) is N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NC1CNCC1(F)F.
What is the InChIKey of N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide?
The InChIKey is KWJIZHBFFSSKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O3S/c1-16(14,15)3-2-7(13)12-6-4-11-5-8(6,9)10/h6,11H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide?
N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide has a molecular weight of 256.27 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 118073718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).