5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine

C10H20F3NS — CID 65135518

IUPAC5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine
SMILESCNC(CCC(F)(F)F)CSCC(C)C
InChIInChI=1S/C10H20F3NS/c1-8(2)6-15-7-9(14-3)4-5-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyYJYJQTBZJHVSGV-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.31
Rot. Bonds7

About 5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine

5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine (PubChem CID 65135518) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine
PubChem CID65135518
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine
SMILESCNC(CCC(F)(F)F)CSCC(C)C
InChIInChI=1S/C10H20F3NS/c1-8(2)6-15-7-9(14-3)4-5-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyYJYJQTBZJHVSGV-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine (CID 65135518) is 5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine is CNC(CCC(F)(F)F)CSCC(C)C.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine?
The InChIKey is YJYJQTBZJHVSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-8(2)6-15-7-9(14-3)4-5-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine?
5,5,5-trifluoro-N-methyl-1-(2-methylpropylsulfanyl)pentan-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.31, 7 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-(2-methylpropylsulfanyl)pentan-2-amine is sourced from PubChem (CID 65135518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).