1-(trifluoromethylsulfonyl)pyrrolidin-3-amine

C5H9F3N2O2S — CID 62069219

IUPAC1-(trifluoromethylsulfonyl)pyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-2-1-4(9)3-10/h4H,1-3,9H2
InChIKeyVSIQFBTXFTZBJD-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.13
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine

1-(trifluoromethylsulfonyl)pyrrolidin-3-amine (PubChem CID 62069219) has the molecular formula C5H9F3N2O2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)pyrrolidin-3-amine
PubChem CID62069219
Molecular FormulaC5H9F3N2O2S
Molecular Weight218.20 g/mol
Exact Mass218.03
IUPAC Name1-(trifluoromethylsulfonyl)pyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-2-1-4(9)3-10/h4H,1-3,9H2
InChIKeyVSIQFBTXFTZBJD-UHFFFAOYSA-N
XLogP-0.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine (CID 62069219) is 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine is NC1CCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine?
The InChIKey is VSIQFBTXFTZBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2S/c6-5(7,8)13(11,12)10-2-1-4(9)3-10/h4H,1-3,9H2.
What are the key properties of 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine?
1-(trifluoromethylsulfonyl)pyrrolidin-3-amine has a molecular weight of 218.20 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 62069219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).