1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine

C16H20N2S2 — CID 81261123

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(C)cn1)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H20N2S2/c1-11-3-4-13(18-9-11)8-14(17-2)16-7-12-10-19-6-5-15(12)20-16/h3-4,7,9,14,17H,5-6,8,10H2,1-2H3
InChIKeyIPWZHGGOOIIYPT-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.74
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 81261123) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID81261123
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(C)cn1)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H20N2S2/c1-11-3-4-13(18-9-11)8-14(17-2)16-7-12-10-19-6-5-15(12)20-16/h3-4,7,9,14,17H,5-6,8,10H2,1-2H3
InChIKeyIPWZHGGOOIIYPT-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine with MolForge

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Related Compounds

3-(2-Thienyl)pyridine
CID 595145
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
2-Fluoro-5-(3-methylthiophen-2-yl)pyridine
CID 11148236
(5-Pyrid-3-ylthien-2-YL)methylamine
CID 11206290
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
N-(2-Thienylmethyl)-4-pyridinemethanamine
CID 964916
Methyl-(5-pyridin-3-yl-thiophen-2-yl)-amine
CID 44388719
Dimethyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine
CID 11310529
(5-Methyl-thiophen-2-ylmethyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2975334

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine (CID 81261123) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine is CNC(Cc1ccc(C)cn1)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is IPWZHGGOOIIYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S2/c1-11-3-4-13(18-9-11)8-14(17-2)16-7-12-10-19-6-5-15(12)20-16/h3-4,7,9,14,17H,5-6,8,10H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 304.48 g/mol, XLogP of 3.74, 4 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-methyl-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 81261123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).