N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine

C18H23F3N2O5S — CID 90725013

IUPACN-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC=C(NOCC2CCCCO2)CC1
InChIInChI=1S/C18H23F3N2O5S/c19-18(20,21)28-15-4-6-17(7-5-15)29(24,25)23-10-8-14(9-11-23)22-27-13-16-3-1-2-12-26-16/h4-8,16,22H,1-3,9-13H2
InChIKeyAARQHAXLKQSVNM-UHFFFAOYSA-N
MW436.45 g/mol
LogP2.95
Rot. Bonds7

About N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine

N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 90725013) has the molecular formula C18H23F3N2O5S and a molecular weight of 436.45 g/mol. Its IUPAC name is N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID90725013
Molecular FormulaC18H23F3N2O5S
Molecular Weight436.45 g/mol
Exact Mass436.13
IUPAC NameN-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC=C(NOCC2CCCCO2)CC1
InChIInChI=1S/C18H23F3N2O5S/c19-18(20,21)28-15-4-6-17(7-5-15)29(24,25)23-10-8-14(9-11-23)22-27-13-16-3-1-2-12-26-16/h4-8,16,22H,1-3,9-13H2
InChIKeyAARQHAXLKQSVNM-UHFFFAOYSA-N
XLogP2.95
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine
CID 57992899
N-(3-propyl-1,2,4,6-tetrahydro-3-benzazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 69549382
1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90703266
2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetic acid
CID 90725609
N-[(1-methylpiperidin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
CID 90728675
5-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]-1H-pyridin-2-one
CID 90747246
6-chloro-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]-1H-pyridin-2-one
CID 90776299
N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 90786230
6-chloro-1-methyl-4-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridin-2-one
CID 90826433
N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
CID 90832721
1-[4-(trifluoromethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90942387
1-(4-ethoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90949589

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine (CID 90725013) is N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC=C(NOCC2CCCCO2)CC1.
What is the InChIKey of N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is AARQHAXLKQSVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O5S/c19-18(20,21)28-15-4-6-17(7-5-15)29(24,25)23-10-8-14(9-11-23)22-27-13-16-3-1-2-12-26-16/h4-8,16,22H,1-3,9-13H2.
What are the key properties of N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 436.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 90725013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).