N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine

C16H21F3N2O4S — CID 24810900

IUPACN-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine
SMILESCC(C)CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H21F3N2O4S/c1-12(2)11-24-20-13-7-9-21(10-8-13)26(22,23)15-5-3-14(4-6-15)25-16(17,18)19/h3-6,12H,7-11H2,1-2H3
InChIKeyZUUNMSLXUJHRJD-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.40
Rot. Bonds6

About N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine

N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine (PubChem CID 24810900) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine
PubChem CID24810900
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC NameN-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine
SMILESCC(C)CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H21F3N2O4S/c1-12(2)11-24-20-13-7-9-21(10-8-13)26(22,23)15-5-3-14(4-6-15)25-16(17,18)19/h3-6,12H,7-11H2,1-2H3
InChIKeyZUUNMSLXUJHRJD-UHFFFAOYSA-N
XLogP3.40
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209
1'-((4-(Difluoromethoxy)phenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308421
1-[1-[4-(Difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine
CID 118314260
4-Methyl-1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]piperidine
CID 141659834
N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3434273
1-[(4-Methoxyphenyl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 2929336
(E)-4-(2-(2-(N-((p-Methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine 1-oxide
CID 12134997
1-[(4-Methoxyphenyl)sulfonyl]-3-methylpiperidine
CID 2843006
1-(4-Methoxy-benzenesulfonyl)-4-methyl-piperidine
CID 2055138
1-{[4-(Trifluoromethoxy)phenyl]sulfonyl}piperidine
CID 16489160

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine?
The IUPAC name of N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine (CID 24810900) is N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine.
What is the SMILES notation for N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine?
The canonical SMILES for N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine is CC(C)CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine?
The InChIKey is ZUUNMSLXUJHRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c1-12(2)11-24-20-13-7-9-21(10-8-13)26(22,23)15-5-3-14(4-6-15)25-16(17,18)19/h3-6,12H,7-11H2,1-2H3.
What are the key properties of N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine?
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine has a molecular weight of 394.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine is sourced from PubChem (CID 24810900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).