5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine

C12H24F3NS — CID 65135087

IUPAC5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSCC(C)C
InChIInChI=1S/C12H24F3NS/c1-4-7-16-11(5-6-12(13,14)15)9-17-8-10(2)3/h10-11,16H,4-9H2,1-3H3
InChIKeyZKXQDRHXEQZZTN-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.60
Rot. Bonds9

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

5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine (PubChem CID 65135087) has the molecular formula C12H24F3NS and a molecular weight of 271.39 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine
PubChem CID65135087
Molecular FormulaC12H24F3NS
Molecular Weight271.39 g/mol
Exact Mass271.16
IUPAC Name5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSCC(C)C
InChIInChI=1S/C12H24F3NS/c1-4-7-16-11(5-6-12(13,14)15)9-17-8-10(2)3/h10-11,16H,4-9H2,1-3H3
InChIKeyZKXQDRHXEQZZTN-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity183

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1,2,2-pentafluoro-N-methyl-5-propylsulfanylpentan-3-amine
CID 21714888
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
(2S)-1,1,1-trifluoro-N-[(2S)-4-(3,3,3-trifluoropropylsulfanyl)butan-2-yl]butan-2-amine
CID 149317784
(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine
CID 166766956
1,1,1-Trifluoro-2-(2-methylpropylsulfanyl)pentan-3-amine
CID 61648127
2-propylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62576728
2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62576950
2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62577359
2-butylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62578450
2-butan-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62578833
N-(3,3,3-trifluoropropyl)thian-3-amine
CID 63226422

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine (CID 65135087) is 5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)CSCC(C)C.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine?
The InChIKey is ZKXQDRHXEQZZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NS/c1-4-7-16-11(5-6-12(13,14)15)9-17-8-10(2)3/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine?
5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine has a molecular weight of 271.39 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine is sourced from PubChem (CID 65135087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).