2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine

C9H13NOS — CID 67258500

IUPAC2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine
SMILESNCC[C@@H]1OCCc2ccsc21
InChIInChI=1S/C9H13NOS/c10-4-1-8-9-7(2-5-11-8)3-6-12-9/h3,6,8H,1-2,4-5,10H2/t8-/m0/s1
InChIKeyJXUCWBWBFKYBEM-QMMMGPOBSA-N
MW183.28 g/mol
LogP1.71
Rot. Bonds2

About 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine

2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine (PubChem CID 67258500) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine.

Molecular Properties

Compound Name2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine
PubChem CID67258500
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine
SMILESNCC[C@@H]1OCCc2ccsc21
InChIInChI=1S/C9H13NOS/c10-4-1-8-9-7(2-5-11-8)3-6-12-9/h3,6,8H,1-2,4-5,10H2/t8-/m0/s1
InChIKeyJXUCWBWBFKYBEM-QMMMGPOBSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine?
The IUPAC name of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine (CID 67258500) is 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine.
What is the SMILES notation for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine?
The canonical SMILES for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine is NCC[C@@H]1OCCc2ccsc21.
What is the InChIKey of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine?
The InChIKey is JXUCWBWBFKYBEM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NOS/c10-4-1-8-9-7(2-5-11-8)3-6-12-9/h3,6,8H,1-2,4-5,10H2/t8-/m0/s1.
What are the key properties of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine?
2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine is sourced from PubChem (CID 67258500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).