1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine

C7H13NS — CID 105428579

IUPAC1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
SMILESCC(N)C1=CCSCC1
InChIInChI=1S/C7H13NS/c1-6(8)7-2-4-9-5-3-7/h2,6H,3-5,8H2,1H3
InChIKeyDIWRSEWLWAXXMR-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.40
Rot. Bonds1

About 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine

1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine (PubChem CID 105428579) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
PubChem CID105428579
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
SMILESCC(N)C1=CCSCC1
InChIInChI=1S/C7H13NS/c1-6(8)7-2-4-9-5-3-7/h2,6H,3-5,8H2,1H3
InChIKeyDIWRSEWLWAXXMR-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine?
The IUPAC name of 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine (CID 105428579) is 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine.
What is the SMILES notation for 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine?
The canonical SMILES for 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine is CC(N)C1=CCSCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine?
The InChIKey is DIWRSEWLWAXXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(8)7-2-4-9-5-3-7/h2,6H,3-5,8H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine?
1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine is sourced from PubChem (CID 105428579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).