N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine

C10H17F3N2OS — CID 104931418

IUPACN-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CCSC(F)(F)F)CCC1=NO
InChIInChI=1S/C10H17F3N2OS/c1-2-8-7-15(4-3-9(8)14-16)5-6-17-10(11,12)13/h8,16H,2-7H2,1H3
InChIKeyGMUZAGYLFFQOBF-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.80
Rot. Bonds4

About N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine

N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 104931418) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
PubChem CID104931418
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC NameN-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CCSC(F)(F)F)CCC1=NO
InChIInChI=1S/C10H17F3N2OS/c1-2-8-7-15(4-3-9(8)14-16)5-6-17-10(11,12)13/h8,16H,2-7H2,1H3
InChIKeyGMUZAGYLFFQOBF-UHFFFAOYSA-N
XLogP2.80
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 104930954
N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
CID 104931407
N-[3-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-ylidene]hydroxylamine
CID 104931487
N-[3-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-ylidene]hydroxylamine
CID 104931508
N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 104931535
N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 116616134
(NE)-N-[1-(2,2-difluoroethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 133682670
N-[1-(2-ethylsulfanylethyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 104930974
N-[3-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ylidene]hydroxylamine
CID 104931027
N-[3-methyl-1-(2-methylsulfanylethyl)piperidin-4-ylidene]hydroxylamine
CID 104931059
N-[1-(3-ethylsulfanylpropyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 104931109
N-[3-ethyl-1-(2-ethylsulfanylethyl)piperidin-4-ylidene]hydroxylamine
CID 104931442

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine (CID 104931418) is N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine is CCC1CN(CCSC(F)(F)F)CCC1=NO.
What is the InChIKey of N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is GMUZAGYLFFQOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-2-8-7-15(4-3-9(8)14-16)5-6-17-10(11,12)13/h8,16H,2-7H2,1H3.
What are the key properties of N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 270.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).