1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine

C19H26F3N3O4S — CID 90789687

IUPAC1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(CCN1CCOCC1)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O4S/c20-19(21,22)17-3-1-2-16(14-17)15-29-23-18-4-6-25(7-5-18)30(26,27)13-10-24-8-11-28-12-9-24/h1-4,14,23H,5-13,15H2
InChIKeyFLNBBNOJQQWUEK-UHFFFAOYSA-N
MW449.50 g/mol
LogP1.98
Rot. Bonds8

About 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine

1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 90789687) has the molecular formula C19H26F3N3O4S and a molecular weight of 449.50 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
PubChem CID90789687
Molecular FormulaC19H26F3N3O4S
Molecular Weight449.50 g/mol
Exact Mass449.16
IUPAC Name1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(CCN1CCOCC1)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O4S/c20-19(21,22)17-3-1-2-16(14-17)15-29-23-18-4-6-25(7-5-18)30(26,27)13-10-24-8-11-28-12-9-24/h1-4,14,23H,5-13,15H2
InChIKeyFLNBBNOJQQWUEK-UHFFFAOYSA-N
XLogP1.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-Morpholin-4-ylethanesulfonyl)piperidin-4-one O-(3-trifluoromethylbenzyl)oxime
CID 57992957
1-(4-fluorophenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90792190
1-(2-fluorophenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91091633
1-ethenylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91415203
1-methylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91431680
1-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91442394

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine (CID 90789687) is 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine is O=S(=O)(CCN1CCOCC1)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is FLNBBNOJQQWUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O4S/c20-19(21,22)17-3-1-2-16(14-17)15-29-23-18-4-6-25(7-5-18)30(26,27)13-10-24-8-11-28-12-9-24/h1-4,14,23H,5-13,15H2.
What are the key properties of 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine?
1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 449.50 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethylsulfonyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 90789687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).