N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C11H20F2N2O4S — CID 104857205

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H20F2N2O4S/c1-2-6-20(18,19)15-5-3-4-9(15)10(17)14-7-11(12,13)8-16/h9,16H,2-8H2,1H3,(H,14,17)
InChIKeyCCJCAPMZWYFNFH-UHFFFAOYSA-N
MW314.35 g/mol
LogP-0.07
Rot. Bonds7

About N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 104857205) has the molecular formula C11H20F2N2O4S and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID104857205
Molecular FormulaC11H20F2N2O4S
Molecular Weight314.35 g/mol
Exact Mass314.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H20F2N2O4S/c1-2-6-20(18,19)15-5-3-4-9(15)10(17)14-7-11(12,13)8-16/h9,16H,2-8H2,1H3,(H,14,17)
InChIKeyCCJCAPMZWYFNFH-UHFFFAOYSA-N
XLogP-0.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 104857205) is N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is CCJCAPMZWYFNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O4S/c1-2-6-20(18,19)15-5-3-4-9(15)10(17)14-7-11(12,13)8-16/h9,16H,2-8H2,1H3,(H,14,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 104857205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).