(2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide

C8H14F2N2O3S — CID 174164355

IUPAC(2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide
SMILESCCN1CCC[C@H]1C(=O)NS(=O)(=O)C(F)F
InChIInChI=1S/C8H14F2N2O3S/c1-2-12-5-3-4-6(12)7(13)11-16(14,15)8(9)10/h6,8H,2-5H2,1H3,(H,11,13)/t6-/m0/s1
InChIKeyQTKFLJNMHXGGNK-LURJTMIESA-N
MW256.27 g/mol
LogP0.14
Rot. Bonds4

About (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide

(2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide (PubChem CID 174164355) has the molecular formula C8H14F2N2O3S and a molecular weight of 256.27 g/mol. Its IUPAC name is (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide
PubChem CID174164355
Molecular FormulaC8H14F2N2O3S
Molecular Weight256.27 g/mol
Exact Mass256.07
IUPAC Name(2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide
SMILESCCN1CCC[C@H]1C(=O)NS(=O)(=O)C(F)F
InChIInChI=1S/C8H14F2N2O3S/c1-2-12-5-3-4-6(12)7(13)11-16(14,15)8(9)10/h6,8H,2-5H2,1H3,(H,11,13)/t6-/m0/s1
InChIKeyQTKFLJNMHXGGNK-LURJTMIESA-N
XLogP0.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide (CID 174164355) is (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide is CCN1CCC[C@H]1C(=O)NS(=O)(=O)C(F)F.
What is the InChIKey of (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide?
The InChIKey is QTKFLJNMHXGGNK-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F2N2O3S/c1-2-12-5-3-4-6(12)7(13)11-16(14,15)8(9)10/h6,8H,2-5H2,1H3,(H,11,13)/t6-/m0/s1.
What are the key properties of (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide?
(2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(difluoromethylsulfonyl)-1-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 174164355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).