1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

C11H20F3NS2 — CID 79966425

IUPAC1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CSCCS1
InChIInChI=1S/C11H20F3NS2/c1-2-5-15-9(3-4-11(12,13)14)10-8-16-6-7-17-10/h9-10,15H,2-8H2,1H3
InChIKeyJHTJHLHGOMETOZ-UHFFFAOYSA-N
MW287.42 g/mol
LogP3.55
Rot. Bonds6

About 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 79966425) has the molecular formula C11H20F3NS2 and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID79966425
Molecular FormulaC11H20F3NS2
Molecular Weight287.42 g/mol
Exact Mass287.10
IUPAC Name1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CSCCS1
InChIInChI=1S/C11H20F3NS2/c1-2-5-15-9(3-4-11(12,13)14)10-8-16-6-7-17-10/h9-10,15H,2-8H2,1H3
InChIKeyJHTJHLHGOMETOZ-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-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

(7R,9R)-9-nonyl-7-(trifluoromethyl)-1,4-dithia-8-azaspiro[4.5]decane
CID 16080242
1,1,1,2,2-pentafluoro-N-methyl-5-propylsulfanylpentan-3-amine
CID 21714888
3-(4,4-difluorocyclohexyl)sulfanyl-N-methylbutan-1-amine
CID 141321218
(2S)-1,1,1-trifluoro-N-[(2S)-4-(3,3,3-trifluoropropylsulfanyl)butan-2-yl]butan-2-amine
CID 149317784
N-butan-2-yl-1-(1,3-dithian-2-yl)hexan-2-amine
CID 134941715
N-(2,2,2-trifluoroethyl)thian-4-amine
CID 43394882
2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62581522
N-(2,2,2-trifluoroethyl)thian-3-amine
CID 62872682
N-(3,3,3-trifluoropropyl)thian-4-amine
CID 63225937
N-(3,3,3-trifluoropropyl)thian-3-amine
CID 63226422
N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567635
5,5,5-trifluoro-1-methylsulfanyl-N-propylpentan-2-amine
CID 64567636

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The IUPAC name of 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 79966425) is 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The InChIKey is JHTJHLHGOMETOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS2/c1-2-5-15-9(3-4-11(12,13)14)10-8-16-6-7-17-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 287.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is sourced from PubChem (CID 79966425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).