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

C16H20N2S2 — CID 105023233

IUPACN-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H20N2S2/c1-3-18-16(12-6-11(2)8-17-9-12)15-7-13-10-19-5-4-14(13)20-15/h6-9,16,18H,3-5,10H2,1-2H3
InChIKeyGXHWMAWGFJRNNI-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.94
Rot. Bonds4

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

N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105023233) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105023233
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC NameN-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H20N2S2/c1-3-18-16(12-6-11(2)8-17-9-12)15-7-13-10-19-5-4-14(13)20-15/h6-9,16,18H,3-5,10H2,1-2H3
InChIKeyGXHWMAWGFJRNNI-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115827429
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-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852042
N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
CID 81261896
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
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 81266726
2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
CID 115984985
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-(5-ethylthiophen-2-yl)ethanamine
CID 115842705
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81266343

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine (CID 105023233) is N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(C)c1)c1cc2c(s1)CCSC2.
What is the InChIKey of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is GXHWMAWGFJRNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S2/c1-3-18-16(12-6-11(2)8-17-9-12)15-7-13-10-19-5-4-14(13)20-15/h6-9,16,18H,3-5,10H2,1-2H3.
What are the key properties of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine?
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 304.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105023233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).