2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol

C9H19NOS — CID 102969172

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
SMILESCOC1CN(CCS)CCC1C
InChIInChI=1S/C9H19NOS/c1-8-3-4-10(5-6-12)7-9(8)11-2/h8-9,12H,3-7H2,1-2H3
InChIKeyGUOGIMGVXZBABF-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.27
Rot. Bonds3

About 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol

2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol (PubChem CID 102969172) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
PubChem CID102969172
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
SMILESCOC1CN(CCS)CCC1C
InChIInChI=1S/C9H19NOS/c1-8-3-4-10(5-6-12)7-9(8)11-2/h8-9,12H,3-7H2,1-2H3
InChIKeyGUOGIMGVXZBABF-UHFFFAOYSA-N
XLogP1.27
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-1,4-dimethylpiperidine
CID 20792004
(3S,4R)-3-methoxy-1,4-dimethylpiperidine
CID 58697520
1,4-Diethyl-3-methoxypiperidine
CID 68261230
4-Ethyl-3-methoxy-1-methylpiperidine
CID 68261284
3-Methyl-5-morpholin-4-ylpentane-1-thiol
CID 80017787
(3S,4S)-3-methoxy-1,4-dimethylpiperidine
CID 89265034
(3R,4R)-3-methoxy-1,4-dimethylpiperidine
CID 89785510
1-(2,2-Diethylmorpholin-4-yl)propane-2-thiol
CID 91174628
3-Methoxy-1-(3-methylbutyl)piperidine
CID 123777712
3-Ethyl-6-morpholin-4-ylhexane-1-thiol
CID 123795908
4-(2-Methyl-4-methylsulfanyloxypentyl)morpholine
CID 124002479
1-(2-Propan-2-ylmorpholin-4-yl)ethanethiol
CID 132221846

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol (CID 102969172) is 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol is COC1CN(CCS)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol?
The InChIKey is GUOGIMGVXZBABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8-3-4-10(5-6-12)7-9(8)11-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol?
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol has a molecular weight of 189.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol is sourced from PubChem (CID 102969172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).