1-ethyl-3-methylsulfanyloxypyrrolidine

C7H15NOS — CID 143488683

IUPAC1-ethyl-3-methylsulfanyloxypyrrolidine
SMILESCCN1CCC(OSC)C1
InChIInChI=1S/C7H15NOS/c1-3-8-5-4-7(6-8)9-10-2/h7H,3-6H2,1-2H3
InChIKeyRNKKNXHWAQXPLG-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.38
Rot. Bonds3

About 1-ethyl-3-methylsulfanyloxypyrrolidine

1-ethyl-3-methylsulfanyloxypyrrolidine (PubChem CID 143488683) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-ethyl-3-methylsulfanyloxypyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-methylsulfanyloxypyrrolidine
PubChem CID143488683
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-ethyl-3-methylsulfanyloxypyrrolidine
SMILESCCN1CCC(OSC)C1
InChIInChI=1S/C7H15NOS/c1-3-8-5-4-7(6-8)9-10-2/h7H,3-6H2,1-2H3
InChIKeyRNKKNXHWAQXPLG-UHFFFAOYSA-N
XLogP1.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 58721733
ethane;1-ethyl-3-methoxypyrrolidine;formic acid
CID 162750687
[(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 97355933
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
4-cyclobutyloxy-1-ethylpiperidine;ethane
CID 176982865
1,3-diethylpyrrolidine;ethane
CID 145103245
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
3-(difluoromethoxy)-1-ethylpiperidine
CID 130226338
(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
(1-ethylpyrrolidin-3-yl) 4-aminobenzoate
CID 117066621

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylsulfanyloxypyrrolidine?
The IUPAC name of 1-ethyl-3-methylsulfanyloxypyrrolidine (CID 143488683) is 1-ethyl-3-methylsulfanyloxypyrrolidine.
What is the SMILES notation for 1-ethyl-3-methylsulfanyloxypyrrolidine?
The canonical SMILES for 1-ethyl-3-methylsulfanyloxypyrrolidine is CCN1CCC(OSC)C1.
What is the InChIKey of 1-ethyl-3-methylsulfanyloxypyrrolidine?
The InChIKey is RNKKNXHWAQXPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-8-5-4-7(6-8)9-10-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-3-methylsulfanyloxypyrrolidine?
1-ethyl-3-methylsulfanyloxypyrrolidine has a molecular weight of 161.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylsulfanyloxypyrrolidine is sourced from PubChem (CID 143488683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).