1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol

C9H17F3N2O3S — CID 112737677

IUPAC1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCCC(CN)S(=O)(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O3S/c1-2-7(5-13)18(16,17)14-4-3-8(15,6-14)9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyASQYPCSLGIGQDL-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.05
Rot. Bonds4

About 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737677) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737677
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCCC(CN)S(=O)(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O3S/c1-2-7(5-13)18(16,17)14-4-3-8(15,6-14)9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyASQYPCSLGIGQDL-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Aminopropan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737678
1-Tert-butylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737857
1-Cyclopentylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113318700
3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-ol
CID 113356087
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbutane-1-sulfonamide
CID 114759965
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
CID 114759997
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 114760060
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]methanesulfonamide
CID 114760085
3-Hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
CID 114805127
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylethanesulfonamide
CID 132372952
N-ethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrolidine-3-sulfonamide
CID 132373259
N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 136511710

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737677) is 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol is CCC(CN)S(=O)(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is ASQYPCSLGIGQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-2-7(5-13)18(16,17)14-4-3-8(15,6-14)9(10,11)12/h7,15H,2-6,13H2,1H3.
What are the key properties of 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 290.31 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).