1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine

C10H19NOS — CID 102647513

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine
SMILESCCSCC(NC)C1=CCCCO1
InChIInChI=1S/C10H19NOS/c1-3-13-8-9(11-2)10-6-4-5-7-12-10/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyDPBQUACFSGNZKG-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.02
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine (PubChem CID 102647513) 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-ethylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine
PubChem CID102647513
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine
SMILESCCSCC(NC)C1=CCCCO1
InChIInChI=1S/C10H19NOS/c1-3-13-8-9(11-2)10-6-4-5-7-12-10/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyDPBQUACFSGNZKG-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 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 ≤ 52.02
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-ethylsulfanyl-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine (CID 102647513) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine is CCSCC(NC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine?
The InChIKey is DPBQUACFSGNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-13-8-9(11-2)10-6-4-5-7-12-10/h6,9,11H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanyl-N-methylethanamine has a molecular weight of 201.33 g/mol, XLogP of 2.02, 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-ethylsulfanyl-N-methylethanamine is sourced from PubChem (CID 102647513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).