(2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide

C9H16F2N2O3S — CID 163552301

IUPAC(2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@H]1C(=O)NS(=O)(=O)C(F)F
InChIInChI=1S/C9H16F2N2O3S/c1-6(2)13-5-3-4-7(13)8(14)12-17(15,16)9(10)11/h6-7,9H,3-5H2,1-2H3,(H,12,14)/t7-/m0/s1
InChIKeyFKBYYVRAMFZNNR-ZETCQYMHSA-N
MW270.30 g/mol
LogP0.53
Rot. Bonds4

About (2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide

(2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 163552301) has the molecular formula C9H16F2N2O3S and a molecular weight of 270.30 g/mol. Its IUPAC name is (2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID163552301
Molecular FormulaC9H16F2N2O3S
Molecular Weight270.30 g/mol
Exact Mass270.08
IUPAC Name(2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@H]1C(=O)NS(=O)(=O)C(F)F
InChIInChI=1S/C9H16F2N2O3S/c1-6(2)13-5-3-4-7(13)8(14)12-17(15,16)9(10)11/h6-7,9H,3-5H2,1-2H3,(H,12,14)/t7-/m0/s1
InChIKeyFKBYYVRAMFZNNR-ZETCQYMHSA-N
XLogP0.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-(3-Trifluoromethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid amide
CID 11336088
(2S)-1-acetyl-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]pyrrolidine-2-carboxamide
CID 53500657
(2S)-N-methylsulfonylpyrrolidine-2-carboxamide
CID 11194856
(2S)-1-(dipropylsulfamoyl)pyrrolidine-2-carboxamide
CID 94187276
(2S)-N-ethyl-4,4-difluoro-1-(1-methylsulfonylazetidin-3-yl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 137961537
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 22732195
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide
CID 22732196
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 69891264
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide
CID 69891265
(2S)-4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 89826343
4,4-difluoro-N-methylsulfonylpyrrolidine-2-carboxamide
CID 89826344
(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide
CID 118349047

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide (CID 163552301) is (2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1CCC[C@H]1C(=O)NS(=O)(=O)C(F)F.
What is the InChIKey of (2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is FKBYYVRAMFZNNR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16F2N2O3S/c1-6(2)13-5-3-4-7(13)8(14)12-17(15,16)9(10)11/h6-7,9H,3-5H2,1-2H3,(H,12,14)/t7-/m0/s1.
What are the key properties of (2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-N-(difluoromethylsulfonyl)-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 0.53, 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-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163552301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).