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

C11H21NOS — CID 102647517

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)C1=CCCCO1
InChIInChI=1S/C11H21NOS/c1-3-8-14-9-10(12-2)11-6-4-5-7-13-11/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyMUMQASOIEUCOML-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.41
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine (PubChem CID 102647517) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine
PubChem CID102647517
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)C1=CCCCO1
InChIInChI=1S/C11H21NOS/c1-3-8-14-9-10(12-2)11-6-4-5-7-13-11/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyMUMQASOIEUCOML-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine (CID 102647517) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine is CCCSCC(NC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine?
The InChIKey is MUMQASOIEUCOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-8-14-9-10(12-2)11-6-4-5-7-13-11/h6,10,12H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-propylsulfanylethanamine has a molecular weight of 215.36 g/mol, XLogP of 2.41, 6 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)-N-methyl-2-propylsulfanylethanamine is sourced from PubChem (CID 102647517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).