(3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

C6H12F3N3O2S — CID 104978144

IUPAC(3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESN[C@@H]1CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)4-11-15(13,14)12-2-1-5(10)3-12/h5,11H,1-4,10H2/t5-/m1/s1
InChIKeyLGRLIDOMHXKWAT-RXMQYKEDSA-N
MW247.24 g/mol
LogP-0.58
Rot. Bonds3

About (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

(3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 104978144) has the molecular formula C6H12F3N3O2S and a molecular weight of 247.24 g/mol. Its IUPAC name is (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID104978144
Molecular FormulaC6H12F3N3O2S
Molecular Weight247.24 g/mol
Exact Mass247.06
IUPAC Name(3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESN[C@@H]1CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C6H12F3N3O2S/c7-6(8,9)4-11-15(13,14)12-2-1-5(10)3-12/h5,11H,1-4,10H2/t5-/m1/s1
InChIKeyLGRLIDOMHXKWAT-RXMQYKEDSA-N
XLogP-0.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide
CID 11368252
(R)-1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 70700475
1,1,1-Trifluoro-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 53412406
1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide
CID 15605672
1,1,1-trifluoro-N-[(5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
CID 58880493
1-Trifluoromethanesulfonylpyrrolidin-3-amine
CID 62069219
1,1,1-trifluoro-N-[(3R,5R)-5-methylpyrrolidin-3-yl]methanesulfonamide
CID 71194432
(R)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine
CID 94340385
(S)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine
CID 94340386
1,1,1-trifluoro-N-(pyrrolidin-3-yl)methanesulfonamide hydrochloride
CID 118916108

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 104978144) is (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is N[C@@H]1CCN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is LGRLIDOMHXKWAT-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F3N3O2S/c7-6(8,9)4-11-15(13,14)12-2-1-5(10)3-12/h5,11H,1-4,10H2/t5-/m1/s1.
What are the key properties of (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
(3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 247.24 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 104978144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).