2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine

C8H16F3N3O2S — CID 104978183

IUPAC2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine
SMILESO=S(=O)(NCC[C@H]1CCCN1)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)6-14-17(15,16)13-5-3-7-2-1-4-12-7/h7,12-14H,1-6H2/t7-/m1/s1
InChIKeyFIZKUGROODFJFP-SSDOTTSWSA-N
MW275.30 g/mol
LogP0.11
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine

2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine (PubChem CID 104978183) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine
PubChem CID104978183
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine
SMILESO=S(=O)(NCC[C@H]1CCCN1)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)6-14-17(15,16)13-5-3-7-2-1-4-12-7/h7,12-14H,1-6H2/t7-/m1/s1
InChIKeyFIZKUGROODFJFP-SSDOTTSWSA-N
XLogP0.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopentylamino)propyl]-1,1,1-trifluoromethanesulfonamide
CID 18349082
3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide
CID 155056242
4-[Sulfamoyl(3,3,3-trifluoropropyl)amino]piperidine
CID 167049379
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 43602825
3,3,3-trifluoro-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 63227848
3-[1-(Difluoromethylsulfonyl)pyrrolidin-2-yl]propan-1-amine
CID 63766227
N-[6-(trifluoromethyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
CID 82811267
2-(Pyrrolidin-2-ylmethyl)-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814051
2-Piperidin-4-yl-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814052
2-Piperidin-3-yl-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 84814053
1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972413
4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide
CID 104972444

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine (CID 104978183) is 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine is O=S(=O)(NCC[C@H]1CCCN1)NCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine?
The InChIKey is FIZKUGROODFJFP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c9-8(10,11)6-14-17(15,16)13-5-3-7-2-1-4-12-7/h7,12-14H,1-6H2/t7-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine?
2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine has a molecular weight of 275.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]ethanamine is sourced from PubChem (CID 104978183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).