2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane

C20H32N2O2S2 — CID 161057098

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane
SMILESC.CNCCC1OCCc2ccsc21.NCCC1OCCc2ccsc21
InChIInChI=1S/C10H15NOS.C9H13NOS.CH4/c1-11-5-2-9-10-8(3-6-12-9)4-7-13-10;10-4-1-8-9-7(2-5-11-8)3-6-12-9;/h4,7,9,11H,2-3,5-6H2,1H3;3,6,8H,1-2,4-5,10H2;1H4
InChIKeyUCWXUCDZSSPXSY-UHFFFAOYSA-N
MW396.62 g/mol
LogP4.32
Rot. Bonds5

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane (PubChem CID 161057098) has the molecular formula C20H32N2O2S2 and a molecular weight of 396.62 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane
PubChem CID161057098
Molecular FormulaC20H32N2O2S2
Molecular Weight396.62 g/mol
Exact Mass396.19
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane
SMILESC.CNCCC1OCCc2ccsc21.NCCC1OCCc2ccsc21
InChIInChI=1S/C10H15NOS.C9H13NOS.CH4/c1-11-5-2-9-10-8(3-6-12-9)4-7-13-10;10-4-1-8-9-7(2-5-11-8)3-6-12-9;/h4,7,9,11H,2-3,5-6H2,1H3;3,6,8H,1-2,4-5,10H2;1H4
InChIKeyUCWXUCDZSSPXSY-UHFFFAOYSA-N
XLogP4.32
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane (CID 161057098) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane is C.CNCCC1OCCc2ccsc21.NCCC1OCCc2ccsc21.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane?
The InChIKey is UCWXUCDZSSPXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.C9H13NOS.CH4/c1-11-5-2-9-10-8(3-6-12-9)4-7-13-10;10-4-1-8-9-7(2-5-11-8)3-6-12-9;/h4,7,9,11H,2-3,5-6H2,1H3;3,6,8H,1-2,4-5,10H2;1H4.
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane has a molecular weight of 396.62 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanamine;2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylethanamine;methane is sourced from PubChem (CID 161057098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).