3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol

C7H14F3N3O3S — CID 114805134

IUPAC3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol
SMILESO=S(=O)(NCC(F)(F)F)NCC1(O)CCNC1
InChIInChI=1S/C7H14F3N3O3S/c8-7(9,10)5-13-17(15,16)12-4-6(14)1-2-11-3-6/h11-14H,1-5H2
InChIKeyUBJSQGBNNDCERU-UHFFFAOYSA-N
MW277.27 g/mol
LogP-1.30
Rot. Bonds5

About 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol

3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol (PubChem CID 114805134) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol
PubChem CID114805134
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol
SMILESO=S(=O)(NCC(F)(F)F)NCC1(O)CCNC1
InChIInChI=1S/C7H14F3N3O3S/c8-7(9,10)5-13-17(15,16)12-4-6(14)1-2-11-3-6/h11-14H,1-5H2
InChIKeyUBJSQGBNNDCERU-UHFFFAOYSA-N
XLogP-1.30
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Trifluoromethyl)pyrrolidin-3-ol
CID 50990624
(3S)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420888
(3R)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420890
3-(Difluoromethyl)pyrrolidin-3-ol
CID 71756932
Azane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 121304840
(3S)-3-(difluoromethyl)pyrrolidin-3-ol
CID 96581905
(3R)-3-(difluoromethyl)pyrrolidin-3-ol
CID 96581906
3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 103357539
1,1-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylmethanesulfonamide
CID 114759997
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
3-Hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
CID 130161631

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol (CID 114805134) is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol is O=S(=O)(NCC(F)(F)F)NCC1(O)CCNC1.
What is the InChIKey of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol?
The InChIKey is UBJSQGBNNDCERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c8-7(9,10)5-13-17(15,16)12-4-6(14)1-2-11-3-6/h11-14H,1-5H2.
What are the key properties of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol?
3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol has a molecular weight of 277.27 g/mol, XLogP of -1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114805134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).