6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine

C16H19NS2 — CID 105018676

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2cc3c(s2)CCSC3)c1
InChIInChI=1S/C16H19NS2/c1-2-11-4-3-5-12(8-11)16(17)15-9-13-10-18-7-6-14(13)19-15/h3-5,8-9,16H,2,6-7,10,17H2,1H3
InChIKeyTZNNYMUBYNBRNE-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.15
Rot. Bonds3

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine (PubChem CID 105018676) has the molecular formula C16H19NS2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine
PubChem CID105018676
Molecular FormulaC16H19NS2
Molecular Weight289.47 g/mol
Exact Mass289.10
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2cc3c(s2)CCSC3)c1
InChIInChI=1S/C16H19NS2/c1-2-11-4-3-5-12(8-11)16(17)15-9-13-10-18-7-6-14(13)19-15/h3-5,8-9,16H,2,6-7,10,17H2,1H3
InChIKeyTZNNYMUBYNBRNE-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 115481997
2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 81266138
2-[bromo-(4-ethylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81260684
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81261981
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(2,4-dimethylphenyl)methanamine
CID 81261720
2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 81261999
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 81260728
2-[bromo(phenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81260963
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-amine
CID 115845468
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-ethylphenyl)methyl]hydrazine
CID 105326278
(2-chloro-4,5-dimethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 115483657

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine (CID 105018676) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine is CCc1cccc(C(N)c2cc3c(s2)CCSC3)c1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine?
The InChIKey is TZNNYMUBYNBRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS2/c1-2-11-4-3-5-12(8-11)16(17)15-9-13-10-18-7-6-14(13)19-15/h3-5,8-9,16H,2,6-7,10,17H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine has a molecular weight of 289.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine is sourced from PubChem (CID 105018676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).