1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

C9H17F3N2S — CID 115676476

IUPAC1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCN1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2S/c1-14-5-2-8(3-6-14)13-4-7-15-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyHONDJCRWVURDRB-UHFFFAOYSA-N
MW242.31 g/mol
LogP1.92
Rot. Bonds4

About 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (PubChem CID 115676476) has the molecular formula C9H17F3N2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
PubChem CID115676476
Molecular FormulaC9H17F3N2S
Molecular Weight242.31 g/mol
Exact Mass242.11
IUPAC Name1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCN1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2S/c1-14-5-2-8(3-6-14)13-4-7-15-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyHONDJCRWVURDRB-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.92
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-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 24710241
N-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43315253
N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine
CID 54595920
1-propan-2-yl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696501
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
N-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60807298
1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine
CID 60923174
1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine
CID 60923175
N-methyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226778
N-ethyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226829

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (CID 115676476) is 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is CN1CCC(NCCSC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The InChIKey is HONDJCRWVURDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2S/c1-14-5-2-8(3-6-14)13-4-7-15-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine has a molecular weight of 242.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115676476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).