1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine

C9H13NOS — CID 53239199

IUPAC1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine
SMILESCNCC1OCCc2cscc21
InChIInChI=1S/C9H13NOS/c1-10-4-9-8-6-12-5-7(8)2-3-11-9/h5-6,9-10H,2-4H2,1H3
InChIKeyWUSHWRHABHGSQV-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.58
Rot. Bonds2

About 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine

1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine (PubChem CID 53239199) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine
PubChem CID53239199
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine
SMILESCNCC1OCCc2cscc21
InChIInChI=1S/C9H13NOS/c1-10-4-9-8-6-12-5-7(8)2-3-11-9/h5-6,9-10H,2-4H2,1H3
InChIKeyWUSHWRHABHGSQV-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine (CID 53239199) is 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine is CNCC1OCCc2cscc21.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine?
The InChIKey is WUSHWRHABHGSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-10-4-9-8-6-12-5-7(8)2-3-11-9/h5-6,9-10H,2-4H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine?
1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl)-N-methylmethanamine is sourced from PubChem (CID 53239199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).