(3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine

C9H17F2NO2S — CID 176666250

IUPAC(3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@@H]1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2S/c1-7(2)5-8-3-4-12(6-8)15(13,14)9(10)11/h7-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyWYRHVHRLDYGQMB-QMMMGPOBSA-N
MW241.30 g/mol
LogP1.91
Rot. Bonds4

About (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine

(3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine (PubChem CID 176666250) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine
PubChem CID176666250
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name(3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@@H]1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO2S/c1-7(2)5-8-3-4-12(6-8)15(13,14)9(10)11/h7-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyWYRHVHRLDYGQMB-QMMMGPOBSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-3-ethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276437
(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
N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
CID 58435992
3-Propan-2-yl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 68071497
Trifluoromethylsulfonyl 3-(1-methylpyrrolidin-3-yl)propane-1-sulfonate
CID 87060022
N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 88872623
3-Tert-butyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117878026
3-Ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117883312
N-[(4-methylcyclohexyl)methyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 117884502

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine?
The IUPAC name of (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine (CID 176666250) is (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine is CC(C)C[C@@H]1CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine?
The InChIKey is WYRHVHRLDYGQMB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-7(2)5-8-3-4-12(6-8)15(13,14)9(10)11/h7-9H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine?
(3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine has a molecular weight of 241.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(difluoromethylsulfonyl)-3-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 176666250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).