5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine

C9H18F3NS — CID 65131713

IUPAC5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSC(C)C
InChIInChI=1S/C9H18F3NS/c1-7(2)14-6-8(13-3)4-5-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyZOMASJQXAHPWQC-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.06
Rot. Bonds6

About 5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine

5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine (PubChem CID 65131713) has the molecular formula C9H18F3NS and a molecular weight of 229.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine
PubChem CID65131713
Molecular FormulaC9H18F3NS
Molecular Weight229.31 g/mol
Exact Mass229.11
IUPAC Name5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CSC(C)C
InChIInChI=1S/C9H18F3NS/c1-7(2)14-6-8(13-3)4-5-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyZOMASJQXAHPWQC-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-N-methylhexan-3-amine
CID 64566390
1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 66140167
1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 65140058
1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine
CID 64567643
5,5,5-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 66072695
N-methyl-5-phenyl-1-propan-2-ylsulfanylpentan-2-amine
CID 65131659
N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine
CID 79185838
5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
CID 65131446
N-methyl-1-propan-2-ylsulfanylpropan-2-amine
CID 64632461
N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65131658
(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine
CID 105213738
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine (CID 65131713) is 5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine is CNC(CCC(F)(F)F)CSC(C)C.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine?
The InChIKey is ZOMASJQXAHPWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NS/c1-7(2)14-6-8(13-3)4-5-9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine?
5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine has a molecular weight of 229.31 g/mol, XLogP of 3.06, 6 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-propan-2-ylsulfanylpentan-2-amine is sourced from PubChem (CID 65131713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).