N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine

C10H19F3N2S — CID 116616219

IUPACN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-14-8-9-4-2-3-5-15(9)6-7-16-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyHCWCPZRMPOWPPX-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.31
Rot. Bonds5

About N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine

N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine (PubChem CID 116616219) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
PubChem CID116616219
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1CCSC(F)(F)F
InChIInChI=1S/C10H19F3N2S/c1-14-8-9-4-2-3-5-15(9)6-7-16-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyHCWCPZRMPOWPPX-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine (CID 116616219) is N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine is CNCC1CCCCN1CCSC(F)(F)F.
What is the InChIKey of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is HCWCPZRMPOWPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-14-8-9-4-2-3-5-15(9)6-7-16-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 256.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 116616219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).