[4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine

C6H11F3N2O3S — CID 114398512

IUPAC[4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)15(12,13)11-1-2-14-5(3-10)4-11/h5H,1-4,10H2
InChIKeyAZGMMXGIPKHZMT-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.50
Rot. Bonds2

About [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine

[4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 114398512) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
PubChem CID114398512
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name[4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)15(12,13)11-1-2-14-5(3-10)4-11/h5H,1-4,10H2
InChIKeyAZGMMXGIPKHZMT-UHFFFAOYSA-N
XLogP-0.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine (CID 114398512) is [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine is NCC1CN(S(=O)(=O)C(F)(F)F)CCO1.
What is the InChIKey of [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is AZGMMXGIPKHZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c7-6(8,9)15(12,13)11-1-2-14-5(3-10)4-11/h5H,1-4,10H2.
What are the key properties of [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine?
[4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 248.23 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114398512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).