1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine

C10H19NOS — CID 102647516

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(N)C1=CCCCO1
InChIInChI=1S/C10H19NOS/c1-2-7-13-8-9(11)10-5-3-4-6-12-10/h5,9H,2-4,6-8,11H2,1H3
InChIKeyHDHBGBWXXTYNGK-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.15
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine (PubChem CID 102647516) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine
PubChem CID102647516
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(N)C1=CCCCO1
InChIInChI=1S/C10H19NOS/c1-2-7-13-8-9(11)10-5-3-4-6-12-10/h5,9H,2-4,6-8,11H2,1H3
InChIKeyHDHBGBWXXTYNGK-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine 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 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine (CID 102647516) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine is CCCSCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine?
The InChIKey is HDHBGBWXXTYNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-2-7-13-8-9(11)10-5-3-4-6-12-10/h5,9H,2-4,6-8,11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine has a molecular weight of 201.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-propylsulfanylethanamine is sourced from PubChem (CID 102647516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).