3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine

C8H16F3N3O3S — CID 114805127

IUPAC3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
SMILESCN(CC1(O)CCNC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-14(6-7(15)2-3-12-4-7)18(16,17)13-5-8(9,10)11/h12-13,15H,2-6H2,1H3
InChIKeyISBBMDAHMXFRHV-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.96
Rot. Bonds5

About 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine

3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine (PubChem CID 114805127) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine.

Molecular Properties

Compound Name3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
PubChem CID114805127
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC Name3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
SMILESCN(CC1(O)CCNC1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-14(6-7(15)2-3-12-4-7)18(16,17)13-5-8(9,10)11/h12-13,15H,2-6H2,1H3
InChIKeyISBBMDAHMXFRHV-UHFFFAOYSA-N
XLogP-0.96
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 103357539
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol
CID 103366498
1-(1-Aminobutan-2-ylsulfonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737677
1-[3-(Ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737798
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-[[2,2-Difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761041
3-[[Methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol
CID 114761109
3-[[3-Fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761150
3-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol
CID 114761177

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
The IUPAC name of 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine (CID 114805127) is 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine.
What is the SMILES notation for 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
The canonical SMILES for 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine is CN(CC1(O)CCNC1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
The InChIKey is ISBBMDAHMXFRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c1-14(6-7(15)2-3-12-4-7)18(16,17)13-5-8(9,10)11/h12-13,15H,2-6H2,1H3.
What are the key properties of 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine?
3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine has a molecular weight of 291.30 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine is sourced from PubChem (CID 114805127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).