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

C8H13F3N2OS — CID 116616134

IUPACN-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)15-6-5-13-3-1-7(12-14)2-4-13/h14H,1-6H2
InChIKeyZARVRJMGBRMJSW-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.17
Rot. Bonds3

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

N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 116616134) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
PubChem CID116616134
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC NameN-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)15-6-5-13-3-1-7(12-14)2-4-13/h14H,1-6H2
InChIKeyZARVRJMGBRMJSW-UHFFFAOYSA-N
XLogP2.17
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine (CID 116616134) is N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine is ON=C1CCN(CCSC(F)(F)F)CC1.
What is the InChIKey of N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is ZARVRJMGBRMJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c9-8(10,11)15-6-5-13-3-1-7(12-14)2-4-13/h14H,1-6H2.
What are the key properties of N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 242.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 116616134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).