1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine

C12H24F3NS — CID 65132245

IUPAC1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSC(C)(C)C
InChIInChI=1S/C12H24F3NS/c1-5-8-16-10(6-7-12(13,14)15)9-17-11(2,3)4/h10,16H,5-9H2,1-4H3
InChIKeyPLFHGLIXXMJAEO-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.23
Rot. Bonds7

About 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine

1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 65132245) has the molecular formula C12H24F3NS and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID65132245
Molecular FormulaC12H24F3NS
Molecular Weight271.39 g/mol
Exact Mass271.16
IUPAC Name1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CSC(C)(C)C
InChIInChI=1S/C12H24F3NS/c1-5-8-16-10(6-7-12(13,14)15)9-17-11(2,3)4/h10,16H,5-9H2,1-4H3
InChIKeyPLFHGLIXXMJAEO-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl-[3-(4,4,5,5,5-pentafluoropentylthio)-propyl]-amine
CID 11391445
2-(4,4,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 17909984
1,1,1,2,2-pentafluoro-N-methyl-5-propylsulfanylpentan-3-amine
CID 21714888
(2R)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
CID 54181494
(2S)-2-(4,4,5,5,5-pentafluoropentylthiomethyl)-pyrrolidine
CID 57069197
2-(1,1,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 70118341
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
2-(2,3,4,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154974
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine
CID 144798199
(2S)-1,1,1-trifluoro-N-[(2S)-4-(3,3,3-trifluoropropylsulfanyl)butan-2-yl]butan-2-amine
CID 149317784
N-[3-(4,4-difluorobutylsulfanyl)propyl]-5-(methylideneamino)hexan-1-amine
CID 155347248

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine (CID 65132245) is 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is PLFHGLIXXMJAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NS/c1-5-8-16-10(6-7-12(13,14)15)9-17-11(2,3)4/h10,16H,5-9H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine?
1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 271.39 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 65132245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).