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

C9H17NOS — CID 102647364

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)C1=CCCCO1
InChIInChI=1S/C9H17NOS/c1-10-8(7-12-2)9-5-3-4-6-11-9/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyYCZZTRMMYSDRHT-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.63
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine (PubChem CID 102647364) 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)-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine
PubChem CID102647364
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)C1=CCCCO1
InChIInChI=1S/C9H17NOS/c1-10-8(7-12-2)9-5-3-4-6-11-9/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyYCZZTRMMYSDRHT-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 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 ≤ 51.63
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)-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine (CID 102647364) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine is CNC(CSC)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine?
The InChIKey is YCZZTRMMYSDRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-10-8(7-12-2)9-5-3-4-6-11-9/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-methylsulfanylethanamine has a molecular weight of 187.31 g/mol, XLogP of 1.63, 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)-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 102647364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).