N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine

C11H20F3NS — CID 116627230

IUPACN-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
SMILESCNC1CCCCC(CCSC(F)(F)F)C1
InChIInChI=1S/C11H20F3NS/c1-15-10-5-3-2-4-9(8-10)6-7-16-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyAEOHFTZPZRTMGI-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.80
Rot. Bonds4

About N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine

N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine (PubChem CID 116627230) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
PubChem CID116627230
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC NameN-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
SMILESCNC1CCCCC(CCSC(F)(F)F)C1
InChIInChI=1S/C11H20F3NS/c1-15-10-5-3-2-4-9(8-10)6-7-16-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyAEOHFTZPZRTMGI-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine?
The IUPAC name of N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine (CID 116627230) is N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine?
The canonical SMILES for N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine is CNC1CCCCC(CCSC(F)(F)F)C1.
What is the InChIKey of N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine?
The InChIKey is AEOHFTZPZRTMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-15-10-5-3-2-4-9(8-10)6-7-16-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine?
N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 116627230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).