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

C14H20F3NS2 — CID 104992831

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H20F3NS2/c1-2-6-18-11(3-5-14(15,16)17)13-8-10-9-19-7-4-12(10)20-13/h8,11,18H,2-7,9H2,1H3
InChIKeyHUHZZZJZHCOVSG-UHFFFAOYSA-N
MW323.45 g/mol
LogP4.92
Rot. Bonds6

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

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 104992831) has the molecular formula C14H20F3NS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID104992831
Molecular FormulaC14H20F3NS2
Molecular Weight323.45 g/mol
Exact Mass323.10
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H20F3NS2/c1-2-6-18-11(3-5-14(15,16)17)13-8-10-9-19-7-4-12(10)20-13/h8,11,18H,2-7,9H2,1H3
InChIKeyHUHZZZJZHCOVSG-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024149
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-propylbut-3-en-1-amine
CID 115814726
N-[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034645
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)nonylhydrazine
CID 105294340
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-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81266374
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991457
N-[2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]propan-1-amine
CID 102653289
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 115834245
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024304
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 104992759

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 104992831) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The InChIKey is HUHZZZJZHCOVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NS2/c1-2-6-18-11(3-5-14(15,16)17)13-8-10-9-19-7-4-12(10)20-13/h8,11,18H,2-7,9H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 323.45 g/mol, XLogP of 4.92, 6 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)-4,4,4-trifluoro-N-propylbutan-1-amine is sourced from PubChem (CID 104992831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).