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

C9H13NO2S — CID 129016080

IUPAC(3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
SMILESCOc1csc2c1C(CN)OCC2
InChIInChI=1S/C9H13NO2S/c1-11-7-5-13-8-2-3-12-6(4-10)9(7)8/h5-6H,2-4,10H2,1H3
InChIKeyVIOLQCQVIWULLS-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.33
Rot. Bonds2

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

(3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine (PubChem CID 129016080) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is (3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
PubChem CID129016080
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name(3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
SMILESCOc1csc2c1C(CN)OCC2
InChIInChI=1S/C9H13NO2S/c1-11-7-5-13-8-2-3-12-6(4-10)9(7)8/h5-6H,2-4,10H2,1H3
InChIKeyVIOLQCQVIWULLS-UHFFFAOYSA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
The IUPAC name of (3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine (CID 129016080) is (3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine.
What is the SMILES notation for (3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
The canonical SMILES for (3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine is COc1csc2c1C(CN)OCC2.
What is the InChIKey of (3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
The InChIKey is VIOLQCQVIWULLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-11-7-5-13-8-2-3-12-6(4-10)9(7)8/h5-6H,2-4,10H2,1H3.
What are the key properties of (3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine?
(3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine has a molecular weight of 199.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine is sourced from PubChem (CID 129016080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).