1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide

C8H14F2N2O3S — CID 126480634

IUPAC1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
SMILESCCN1CC(F)(F)CC1C(=O)NS(C)(=O)=O
InChIInChI=1S/C8H14F2N2O3S/c1-3-12-5-8(9,10)4-6(12)7(13)11-16(2,14)15/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyMKXBXKRRLLOQOM-UHFFFAOYSA-N
MW256.27 g/mol
LogP-0.21
Rot. Bonds3

About 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide

1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 126480634) has the molecular formula C8H14F2N2O3S and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID126480634
Molecular FormulaC8H14F2N2O3S
Molecular Weight256.27 g/mol
Exact Mass256.07
IUPAC Name1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
SMILESCCN1CC(F)(F)CC1C(=O)NS(C)(=O)=O
InChIInChI=1S/C8H14F2N2O3S/c1-3-12-5-8(9,10)4-6(12)7(13)11-16(2,14)15/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyMKXBXKRRLLOQOM-UHFFFAOYSA-N
XLogP-0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide (CID 126480634) is 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide is CCN1CC(F)(F)CC1C(=O)NS(C)(=O)=O.
What is the InChIKey of 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is MKXBXKRRLLOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O3S/c1-3-12-5-8(9,10)4-6(12)7(13)11-16(2,14)15/h6H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide?
1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 256.27 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126480634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).