1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine

C15H22F3NS2 — CID 105024149

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H22F3NS2/c1-2-7-19-12(4-3-6-15(16,17)18)14-9-11-10-20-8-5-13(11)21-14/h9,12,19H,2-8,10H2,1H3
InChIKeyXDXINSMYIXJBNN-UHFFFAOYSA-N
MW337.48 g/mol
LogP5.31
Rot. Bonds7

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 105024149) has the molecular formula C15H22F3NS2 and a molecular weight of 337.48 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID105024149
Molecular FormulaC15H22F3NS2
Molecular Weight337.48 g/mol
Exact Mass337.11
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H22F3NS2/c1-2-7-19-12(4-3-6-15(16,17)18)14-9-11-10-20-8-5-13(11)21-14/h9,12,19H,2-8,10H2,1H3
InChIKeyXDXINSMYIXJBNN-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992831
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-propylbut-3-en-1-amine
CID 115814726
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024304
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)nonylhydrazine
CID 105294340
1-(4,5-dibromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023820
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
N-[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034645
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115827429
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991457
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81266374
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol
CID 115791416
N-[2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]propan-1-amine
CID 102653289

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 105024149) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is XDXINSMYIXJBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NS2/c1-2-7-19-12(4-3-6-15(16,17)18)14-9-11-10-20-8-5-13(11)21-14/h9,12,19H,2-8,10H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 337.48 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 105024149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).