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

C9H13NOS — CID 82406992

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine
SMILESNCCc1cc2c(s1)CCOC2
InChIInChI=1S/C9H13NOS/c10-3-1-8-5-7-6-11-4-2-9(7)12-8/h5H,1-4,6,10H2
InChIKeyKKMKSSLTMKZCJB-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.32
Rot. Bonds2

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine (PubChem CID 82406992) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine
PubChem CID82406992
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine
SMILESNCCc1cc2c(s1)CCOC2
InChIInChI=1S/C9H13NOS/c10-3-1-8-5-7-6-11-4-2-9(7)12-8/h5H,1-4,6,10H2
InChIKeyKKMKSSLTMKZCJB-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine (CID 82406992) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine is NCCc1cc2c(s1)CCOC2.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine?
The InChIKey is KKMKSSLTMKZCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-3-1-8-5-7-6-11-4-2-9(7)12-8/h5H,1-4,6,10H2.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)ethanamine is sourced from PubChem (CID 82406992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).