[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine

C6H11F3N2O2S — CID 62061993

IUPAC[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-2-1-5(3-10)4-11/h5H,1-4,10H2
InChIKeyIPTPNXJTQWAWKY-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.12
Rot. Bonds2

About [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine

[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine (PubChem CID 62061993) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
PubChem CID62061993
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-2-1-5(3-10)4-11/h5H,1-4,10H2
InChIKeyIPTPNXJTQWAWKY-UHFFFAOYSA-N
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine (CID 62061993) is [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
The InChIKey is IPTPNXJTQWAWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-2-1-5(3-10)4-11/h5H,1-4,10H2.
What are the key properties of [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine?
[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine has a molecular weight of 232.23 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62061993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).