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

C9H15F3N2OS — CID 104930954

IUPACN-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
SMILESCC1CN(CCSC(F)(F)F)CCC1=NO
InChIInChI=1S/C9H15F3N2OS/c1-7-6-14(3-2-8(7)13-15)4-5-16-9(10,11)12/h7,15H,2-6H2,1H3
InChIKeyHBOOGMWHGIAUGT-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.41
Rot. Bonds3

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

N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 104930954) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
PubChem CID104930954
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC NameN-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
SMILESCC1CN(CCSC(F)(F)F)CCC1=NO
InChIInChI=1S/C9H15F3N2OS/c1-7-6-14(3-2-8(7)13-15)4-5-16-9(10,11)12/h7,15H,2-6H2,1H3
InChIKeyHBOOGMWHGIAUGT-UHFFFAOYSA-N
XLogP2.41
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.41
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-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine (CID 104930954) is N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine is CC1CN(CCSC(F)(F)F)CCC1=NO.
What is the InChIKey of N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is HBOOGMWHGIAUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-7-6-14(3-2-8(7)13-15)4-5-16-9(10,11)12/h7,15H,2-6H2,1H3.
What are the key properties of N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine?
N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 256.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104930954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).