N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

C10H19F3N2S — CID 116615490

IUPACN-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCN1CCCC(CNCCSC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2S/c1-15-5-2-3-9(8-15)7-14-4-6-16-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyRHEXTLQHJXLYQV-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.17
Rot. Bonds5

About N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 116615490) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID116615490
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
SMILESCN1CCCC(CNCCSC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2S/c1-15-5-2-3-9(8-15)7-14-4-6-16-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyRHEXTLQHJXLYQV-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 106426061
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol
CID 106172829
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N-[(1-methylpiperidin-3-yl)methyl]pent-3-yn-1-amine
CID 104806624
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173706
3-cyclopentyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 106010724
tert-butyl 2-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106427113
tert-butyl 3-[(1-methylpiperidin-3-yl)methylamino]propanoate
CID 103244424
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 62656306

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine (CID 116615490) is N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is CN1CCCC(CNCCSC(F)(F)F)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is RHEXTLQHJXLYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-15-5-2-3-9(8-15)7-14-4-6-16-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine?
N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 256.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 116615490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).