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

C8H15NOS — CID 102647363

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)C1=CCCCO1
InChIInChI=1S/C8H15NOS/c1-11-6-7(9)8-4-2-3-5-10-8/h4,7H,2-3,5-6,9H2,1H3
InChIKeyMUTZVIXBDPFXAX-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.37
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine (PubChem CID 102647363) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine
PubChem CID102647363
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)C1=CCCCO1
InChIInChI=1S/C8H15NOS/c1-11-6-7(9)8-4-2-3-5-10-8/h4,7H,2-3,5-6,9H2,1H3
InChIKeyMUTZVIXBDPFXAX-UHFFFAOYSA-N
XLogP1.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine (CID 102647363) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine is CSCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine?
The InChIKey is MUTZVIXBDPFXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-11-6-7(9)8-4-2-3-5-10-8/h4,7H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfanylethanamine has a molecular weight of 173.28 g/mol, XLogP of 1.37, 3 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-methylsulfanylethanamine is sourced from PubChem (CID 102647363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).