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

C7H13NS — CID 55290343

IUPAC2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
SMILESNCCC1=CCSCC1
InChIInChI=1S/C7H13NS/c8-4-1-7-2-5-9-6-3-7/h2H,1,3-6,8H2
InChIKeyAGWQIDCAKDCXNM-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.40
Rot. Bonds2

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

2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine (PubChem CID 55290343) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
PubChem CID55290343
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine
SMILESNCCC1=CCSCC1
InChIInChI=1S/C7H13NS/c8-4-1-7-2-5-9-6-3-7/h2H,1,3-6,8H2
InChIKeyAGWQIDCAKDCXNM-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine?
The IUPAC name of 2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine (CID 55290343) is 2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine.
What is the SMILES notation for 2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine?
The canonical SMILES for 2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine is NCCC1=CCSCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine?
The InChIKey is AGWQIDCAKDCXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c8-4-1-7-2-5-9-6-3-7/h2H,1,3-6,8H2.
What are the key properties of 2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine?
2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-thiopyran-4-yl)ethanamine is sourced from PubChem (CID 55290343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).