[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine

C11H13F3N2O3S — CID 114398416

IUPAC[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCO1
InChIInChI=1S/C11H13F3N2O3S/c12-8-1-2-9(11(14)10(8)13)20(17,18)16-3-4-19-7(5-15)6-16/h1-2,7H,3-6,15H2
InChIKeySRTQKQKQIHORTJ-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.45
Rot. Bonds3

About [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine

[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine (PubChem CID 114398416) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine
PubChem CID114398416
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCO1
InChIInChI=1S/C11H13F3N2O3S/c12-8-1-2-9(11(14)10(8)13)20(17,18)16-3-4-19-7(5-15)6-16/h1-2,7H,3-6,15H2
InChIKeySRTQKQKQIHORTJ-UHFFFAOYSA-N
XLogP0.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone
CID 136542506
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398478
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398431
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine (CID 114398416) is [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine is NCC1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCO1.
What is the InChIKey of [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine?
The InChIKey is SRTQKQKQIHORTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-8-1-2-9(11(14)10(8)13)20(17,18)16-3-4-19-7(5-15)6-16/h1-2,7H,3-6,15H2.
What are the key properties of [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine?
[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine has a molecular weight of 310.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114398416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).