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

C19H25F3N2O4S — CID 91141285

IUPACN-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC=C(NOCC2CCCCC2)CC1
InChIInChI=1S/C19H25F3N2O4S/c20-19(21,22)28-17-6-8-18(9-7-17)29(25,26)24-12-10-16(11-13-24)23-27-14-15-4-2-1-3-5-15/h6-10,15,23H,1-5,11-14H2
InChIKeyJWXDWRSSACISQY-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.96
Rot. Bonds7

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

N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 91141285) has the molecular formula C19H25F3N2O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID91141285
Molecular FormulaC19H25F3N2O4S
Molecular Weight434.48 g/mol
Exact Mass434.15
IUPAC NameN-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC=C(NOCC2CCCCC2)CC1
InChIInChI=1S/C19H25F3N2O4S/c20-19(21,22)28-17-6-8-18(9-7-17)29(25,26)24-12-10-16(11-13-24)23-27-14-15-4-2-1-3-5-15/h6-10,15,23H,1-5,11-14H2
InChIKeyJWXDWRSSACISQY-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine (CID 91141285) is N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC=C(NOCC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is JWXDWRSSACISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O4S/c20-19(21,22)28-17-6-8-18(9-7-17)29(25,26)24-12-10-16(11-13-24)23-27-14-15-4-2-1-3-5-15/h6-10,15,23H,1-5,11-14H2.
What are the key properties of N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine?
N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 434.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 91141285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).