(2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine

C9H17F2NO2S — CID 176666115

IUPAC(2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1C[C@H](C)N(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2S/c1-6(2)8-4-7(3)12(5-8)15(13,14)9(10)11/h6-9H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyPJQHBFVBUKEZEO-JAMMHHFISA-N
MW241.30 g/mol
LogP1.91
Rot. Bonds3

About (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine

(2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine (PubChem CID 176666115) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine
PubChem CID176666115
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name(2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1C[C@H](C)N(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2S/c1-6(2)8-4-7(3)12(5-8)15(13,14)9(10)11/h6-9H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyPJQHBFVBUKEZEO-JAMMHHFISA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-isopropyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276443
(3R,4R)-3-ethyl-4-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276444
(2R,4S)-2-methyl-4-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276450
(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine
CID 140533240
3-Propan-2-yl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 68071497
3-Tert-butyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117878026
3-Ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117883312
N-methyl-N-[2-methyl-4-[[propan-2-yl(trifluoromethyl)amino]methyl]hexan-2-yl]methanesulfonamide
CID 118241721
N-[3,5-dimethyl-6-[propan-2-yl(trifluoromethyl)amino]hexan-3-yl]-N-methylmethanesulfonamide
CID 118241947
3,4-Di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine
CID 121339923
N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 129153534
1-(Difluoromethylsulfonyl)-3-ethylpyrrolidine
CID 130620853

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine (CID 176666115) is (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine is CC(C)C1C[C@H](C)N(S(=O)(=O)C(F)F)C1.
What is the InChIKey of (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine?
The InChIKey is PJQHBFVBUKEZEO-JAMMHHFISA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-6(2)8-4-7(3)12(5-8)15(13,14)9(10)11/h6-9H,4-5H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine?
(2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine has a molecular weight of 241.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(difluoromethylsulfonyl)-2-methyl-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 176666115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).