(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine

C5H9F3N2O2S — CID 94340385

IUPAC(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(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/t4-/m1/s1
InChIKeyVSIQFBTXFTZBJD-SCSAIBSYSA-N
MW218.20 g/mol
LogP-0.13
Rot. Bonds1

About (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine

(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine (PubChem CID 94340385) has the molecular formula C5H9F3N2O2S and a molecular weight of 218.20 g/mol. Its IUPAC name is (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine
PubChem CID94340385
Molecular FormulaC5H9F3N2O2S
Molecular Weight218.20 g/mol
Exact Mass218.03
IUPAC Name(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(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/t4-/m1/s1
InChIKeyVSIQFBTXFTZBJD-SCSAIBSYSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine (CID 94340385) is (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine is N[C@@H]1CCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine?
The InChIKey is VSIQFBTXFTZBJD-SCSAIBSYSA-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/t4-/m1/s1.
What are the key properties of (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine?
(3R)-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 (3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 94340385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).