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

C9H17NOS — CID 102647512

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)C1=CCCCO1
InChIInChI=1S/C9H17NOS/c1-2-12-7-8(10)9-5-3-4-6-11-9/h5,8H,2-4,6-7,10H2,1H3
InChIKeyQGEOQSMFJNBPCG-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.76
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine (PubChem CID 102647512) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine
PubChem CID102647512
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)C1=CCCCO1
InChIInChI=1S/C9H17NOS/c1-2-12-7-8(10)9-5-3-4-6-11-9/h5,8H,2-4,6-7,10H2,1H3
InChIKeyQGEOQSMFJNBPCG-UHFFFAOYSA-N
XLogP1.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.76
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-ethylsulfanylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine (CID 102647512) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine is CCSCC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine?
The InChIKey is QGEOQSMFJNBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-2-12-7-8(10)9-5-3-4-6-11-9/h5,8H,2-4,6-7,10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylsulfanylethanamine has a molecular weight of 187.31 g/mol, XLogP of 1.76, 4 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-ethylsulfanylethanamine is sourced from PubChem (CID 102647512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).