3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide

C11H19F2N3O3S — CID 127753805

IUPAC3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C11H19F2N3O3S/c1-20(18,19)16-5-2-3-9(16)7-14-10(17)15-6-4-11(12,13)8-15/h9H,2-8H2,1H3,(H,14,17)/t9-/m1/s1
InChIKeyKZBWJTQCPNRFDI-SECBINFHSA-N
MW311.35 g/mol
LogP0.46
Rot. Bonds3

About 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide

3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 127753805) has the molecular formula C11H19F2N3O3S and a molecular weight of 311.35 g/mol. Its IUPAC name is 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID127753805
Molecular FormulaC11H19F2N3O3S
Molecular Weight311.35 g/mol
Exact Mass311.11
IUPAC Name3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C11H19F2N3O3S/c1-20(18,19)16-5-2-3-9(16)7-14-10(17)15-6-4-11(12,13)8-15/h9H,2-8H2,1H3,(H,14,17)/t9-/m1/s1
InChIKeyKZBWJTQCPNRFDI-SECBINFHSA-N
XLogP0.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide (CID 127753805) is 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide is CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is KZBWJTQCPNRFDI-SECBINFHSA-N. The full InChI is InChI=1S/C11H19F2N3O3S/c1-20(18,19)16-5-2-3-9(16)7-14-10(17)15-6-4-11(12,13)8-15/h9H,2-8H2,1H3,(H,14,17)/t9-/m1/s1.
What are the key properties of 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide?
3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 127753805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).