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

C16H21NS3 — CID 115861137

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H21NS3/c1-2-17-14(6-5-13-4-3-8-19-13)16-10-12-11-18-9-7-15(12)20-16/h3-4,8,10,14,17H,2,5-7,9,11H2,1H3
InChIKeyWVZCLMBOCUSOPU-UHFFFAOYSA-N
MW323.55 g/mol
LogP4.88
Rot. Bonds6

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

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115861137) has the molecular formula C16H21NS3 and a molecular weight of 323.55 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115861137
Molecular FormulaC16H21NS3
Molecular Weight323.55 g/mol
Exact Mass323.08
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H21NS3/c1-2-17-14(6-5-13-4-3-8-19-13)16-10-12-11-18-9-7-15(12)20-16/h3-4,8,10,14,17H,2,5-7,9,11H2,1H3
InChIKeyWVZCLMBOCUSOPU-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842705
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 81266726
2-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
CID 81266579
N-[(2,5-dibromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
CID 81260634
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(oxan-4-yl)methyl]ethanamine
CID 115856026
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997944
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103025947
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)nonylhydrazine
CID 105294340
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine (CID 115861137) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is WVZCLMBOCUSOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS3/c1-2-17-14(6-5-13-4-3-8-19-13)16-10-12-11-18-9-7-15(12)20-16/h3-4,8,10,14,17H,2,5-7,9,11H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 323.55 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115861137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).