3,6-dihydro-2H-thiopyran-4-ylmethanamine

C6H11NS — CID 105427487

IUPAC3,6-dihydro-2H-thiopyran-4-ylmethanamine
SMILESNCC1=CCSCC1
InChIInChI=1S/C6H11NS/c7-5-6-1-3-8-4-2-6/h1H,2-5,7H2
InChIKeyPKHPDBGRONUJEK-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.01
Rot. Bonds1

About 3,6-dihydro-2H-thiopyran-4-ylmethanamine

3,6-dihydro-2H-thiopyran-4-ylmethanamine (PubChem CID 105427487) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran-4-ylmethanamine.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran-4-ylmethanamine
PubChem CID105427487
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3,6-dihydro-2H-thiopyran-4-ylmethanamine
SMILESNCC1=CCSCC1
InChIInChI=1S/C6H11NS/c7-5-6-1-3-8-4-2-6/h1H,2-5,7H2
InChIKeyPKHPDBGRONUJEK-UHFFFAOYSA-N
XLogP1.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-2H-thiopyran-4-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-thiopyran-4-ylmethanamine?
The IUPAC name of 3,6-dihydro-2H-thiopyran-4-ylmethanamine (CID 105427487) is 3,6-dihydro-2H-thiopyran-4-ylmethanamine.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran-4-ylmethanamine?
The canonical SMILES for 3,6-dihydro-2H-thiopyran-4-ylmethanamine is NCC1=CCSCC1.
What is the InChIKey of 3,6-dihydro-2H-thiopyran-4-ylmethanamine?
The InChIKey is PKHPDBGRONUJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c7-5-6-1-3-8-4-2-6/h1H,2-5,7H2.
What are the key properties of 3,6-dihydro-2H-thiopyran-4-ylmethanamine?
3,6-dihydro-2H-thiopyran-4-ylmethanamine has a molecular weight of 129.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-thiopyran-4-ylmethanamine is sourced from PubChem (CID 105427487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).