6-(methoxymethyl)-1-methylpiperidine-2-thione

C8H15NOS — CID 45118493

IUPAC6-(methoxymethyl)-1-methylpiperidine-2-thione
SMILESCOCC1CCCC(=S)N1C
InChIInChI=1S/C8H15NOS/c1-9-7(6-10-2)4-3-5-8(9)11/h7H,3-6H2,1-2H3
InChIKeyGCWIRBGKIUUGAF-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.44
Rot. Bonds2

About 6-(methoxymethyl)-1-methylpiperidine-2-thione

6-(methoxymethyl)-1-methylpiperidine-2-thione (PubChem CID 45118493) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-methylpiperidine-2-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-1-methylpiperidine-2-thione
PubChem CID45118493
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name6-(methoxymethyl)-1-methylpiperidine-2-thione
SMILESCOCC1CCCC(=S)N1C
InChIInChI=1S/C8H15NOS/c1-9-7(6-10-2)4-3-5-8(9)11/h7H,3-6H2,1-2H3
InChIKeyGCWIRBGKIUUGAF-UHFFFAOYSA-N
XLogP1.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-methylpiperidine-2-thione?
The IUPAC name of 6-(methoxymethyl)-1-methylpiperidine-2-thione (CID 45118493) is 6-(methoxymethyl)-1-methylpiperidine-2-thione.
What is the SMILES notation for 6-(methoxymethyl)-1-methylpiperidine-2-thione?
The canonical SMILES for 6-(methoxymethyl)-1-methylpiperidine-2-thione is COCC1CCCC(=S)N1C.
What is the InChIKey of 6-(methoxymethyl)-1-methylpiperidine-2-thione?
The InChIKey is GCWIRBGKIUUGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-9-7(6-10-2)4-3-5-8(9)11/h7H,3-6H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-1-methylpiperidine-2-thione?
6-(methoxymethyl)-1-methylpiperidine-2-thione has a molecular weight of 173.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-methylpiperidine-2-thione is sourced from PubChem (CID 45118493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).