1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine

C9H17NOS — CID 146653292

IUPAC1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine
SMILESCNCC1OCCC2CCSC21
InChIInChI=1S/C9H17NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h7-10H,2-6H2,1H3
InChIKeyMORXJQRBBXYBJX-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.12
Rot. Bonds2

About 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine

1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine (PubChem CID 146653292) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine
PubChem CID146653292
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine
SMILESCNCC1OCCC2CCSC21
InChIInChI=1S/C9H17NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h7-10H,2-6H2,1H3
InChIKeyMORXJQRBBXYBJX-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine (CID 146653292) is 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine is CNCC1OCCC2CCSC21.
What is the InChIKey of 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
The InChIKey is MORXJQRBBXYBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h7-10H,2-6H2,1H3.
What are the key properties of 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine has a molecular weight of 187.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,7,7a-hexahydro-2H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine is sourced from PubChem (CID 146653292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).