5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine

C7H14F3NS — CID 64567634

IUPAC5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSC
InChIInChI=1S/C7H14F3NS/c1-11-6(5-12-2)3-4-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyPARFNCBBCHBRJG-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.28
Rot. Bonds5

About 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine

5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine (PubChem CID 64567634) has the molecular formula C7H14F3NS and a molecular weight of 201.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine
PubChem CID64567634
Molecular FormulaC7H14F3NS
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC Name5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSC
InChIInChI=1S/C7H14F3NS/c1-11-6(5-12-2)3-4-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyPARFNCBBCHBRJG-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,2,2-pentafluoro-N-methyl-5-propylsulfanylpentan-3-amine
CID 21714888
N-methyl-3-(trifluoromethylsulfanyl)propan-1-amine
CID 75530302
4,4-Difluoro-2-(methylsulfanylmethyl)pyrrolidine
CID 105433517
N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 115905478
3-(2,2-difluoroethylsulfanyl)-N-methylpropan-1-amine
CID 142607573
Methanidyl-[3-(trifluoromethylsulfanyl)propyl]azanium
CID 155624835
(2S)-1,1,1-trifluoro-N-(1-methylsulfanylethyl)propan-2-amine
CID 166696989
3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 28608729
N-(2,2,2-trifluoroethyl)thian-4-amine
CID 43394882
2-([(Trifluoromethyl)thio]methyl)pyrrolidine
CID 54772403
1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine
CID 55272632
1,1,1-Trifluoro-2-methylsulfanylpentan-3-amine
CID 61648649

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine (CID 64567634) is 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine is CNC(CCC(F)(F)F)CSC.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine?
The InChIKey is PARFNCBBCHBRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NS/c1-11-6(5-12-2)3-4-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine?
5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine has a molecular weight of 201.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-methylsulfanylpentan-2-amine is sourced from PubChem (CID 64567634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).