(2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine

C9H16F3NO2S — CID 86276450

IUPAC(2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCCC[C@H]1C[C@@H](C)N(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-3-4-8-5-7(2)13(6-8)16(14,15)9(10,11)12/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMMAZXDXLCILDEA-SFYZADRCSA-N
MW259.29 g/mol
LogP2.35
Rot. Bonds3

About (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine

(2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 86276450) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID86276450
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name(2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCCC[C@H]1C[C@@H](C)N(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2S/c1-3-4-8-5-7(2)13(6-8)16(14,15)9(10,11)12/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyMMAZXDXLCILDEA-SFYZADRCSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-3-ethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276437
(S)-2-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276439
(R)-3-isopropyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276443
(3R,4R)-3-ethyl-4-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276444
(2R)-1-methylsulfonyl-2-propan-2-ylpyrrolidine
CID 140533240
3-Propan-2-yl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 68071497
3-Methyl-8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 117730413
3,4-Di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine
CID 121339923
N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide
CID 144507269
2,5-Diethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 163429362
2-Butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 163478786
3-Ethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 167110488

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 86276450) is (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine is CCC[C@H]1C[C@@H](C)N(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is MMAZXDXLCILDEA-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-3-4-8-5-7(2)13(6-8)16(14,15)9(10,11)12/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine?
(2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 259.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-4-propyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 86276450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).