3-(2-ethylsulfanylethoxy)-3-methylpiperidine

C10H21NOS — CID 107385607

IUPAC3-(2-ethylsulfanylethoxy)-3-methylpiperidine
SMILESCCSCCOC1(C)CCCNC1
InChIInChI=1S/C10H21NOS/c1-3-13-8-7-12-10(2)5-4-6-11-9-10/h11H,3-9H2,1-2H3
InChIKeyACCNOEORTFVPJI-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.90
Rot. Bonds5

About 3-(2-ethylsulfanylethoxy)-3-methylpiperidine

3-(2-ethylsulfanylethoxy)-3-methylpiperidine (PubChem CID 107385607) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethoxy)-3-methylpiperidine.

Molecular Properties

Compound Name3-(2-ethylsulfanylethoxy)-3-methylpiperidine
PubChem CID107385607
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(2-ethylsulfanylethoxy)-3-methylpiperidine
SMILESCCSCCOC1(C)CCCNC1
InChIInChI=1S/C10H21NOS/c1-3-13-8-7-12-10(2)5-4-6-11-9-10/h11H,3-9H2,1-2H3
InChIKeyACCNOEORTFVPJI-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylpiperidin-3-yl)oxyethanamine
CID 143190945
3-methyl-3-(3,3,3-trifluoropropoxy)piperidine
CID 107385578
3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine
CID 107385838
3-but-2-ynoxy-3-methylpiperidine
CID 107385814
N-cyclopropyl-3-(3-methylpiperidin-3-yl)oxypropanamide
CID 107385799
3-[2-(3-methylpiperidin-3-yl)oxyethyl]pyridine
CID 107385730
3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylpiperidine
CID 107385628
1-(3-ethylsulfanylpropyl)-2,2-dimethylpiperazine
CID 115741512
1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone
CID 107385595
3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]piperidine
CID 107385886
3-[(2-chlorophenyl)methoxy]-3-methylpiperidine
CID 107385905
N-cyclopropyl-N-methyl-2-(3-methylpiperidin-3-yl)oxyacetamide
CID 107385622

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethoxy)-3-methylpiperidine?
The IUPAC name of 3-(2-ethylsulfanylethoxy)-3-methylpiperidine (CID 107385607) is 3-(2-ethylsulfanylethoxy)-3-methylpiperidine.
What is the SMILES notation for 3-(2-ethylsulfanylethoxy)-3-methylpiperidine?
The canonical SMILES for 3-(2-ethylsulfanylethoxy)-3-methylpiperidine is CCSCCOC1(C)CCCNC1.
What is the InChIKey of 3-(2-ethylsulfanylethoxy)-3-methylpiperidine?
The InChIKey is ACCNOEORTFVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-13-8-7-12-10(2)5-4-6-11-9-10/h11H,3-9H2,1-2H3.
What are the key properties of 3-(2-ethylsulfanylethoxy)-3-methylpiperidine?
3-(2-ethylsulfanylethoxy)-3-methylpiperidine has a molecular weight of 203.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethoxy)-3-methylpiperidine is sourced from PubChem (CID 107385607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).