3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine

C8H17NO2S — CID 164904398

IUPAC3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine
SMILESCOC1CCN(C)C1COSC
InChIInChI=1S/C8H17NO2S/c1-9-5-4-8(10-2)7(9)6-11-12-3/h7-8H,4-6H2,1-3H3
InChIKeyZANAQTXFWWTAHX-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.00
Rot. Bonds4

About 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine

3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine (PubChem CID 164904398) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine
PubChem CID164904398
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine
SMILESCOC1CCN(C)C1COSC
InChIInChI=1S/C8H17NO2S/c1-9-5-4-8(10-2)7(9)6-11-12-3/h7-8H,4-6H2,1-3H3
InChIKeyZANAQTXFWWTAHX-UHFFFAOYSA-N
XLogP1.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-3-methoxy-1-methylpyrrolidin-2-yl]methanol
CID 58778533
(3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine
CID 139553524
(2R,3S)-2-(methoxymethyl)-1-methyl-3-propan-2-yloxypyrrolidine
CID 168880889
2-(methoxymethyl)-1-methyl-3-propan-2-yloxypyrrolidine
CID 168881366
2-(aminooxymethyl)-1-methylpyrrolidin-3-ol
CID 168881296
1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone
CID 176999093
1-[(2-bromo-4,5-dimethoxycyclohexyl)methyl]-6,7-dimethoxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 163142926
2-methoxy-1-methylpyrrolidin-3-ol
CID 139998921
2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 20607201
2-[(3R)-1,2-dimethylpyrrolidin-3-yl]oxy-N,N-dimethylethanamine
CID 166870516
(3-fluoro-1-methylpyrrolidin-2-yl)methanol
CID 163598879
(2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 89143057

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine?
The IUPAC name of 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine (CID 164904398) is 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine.
What is the SMILES notation for 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine?
The canonical SMILES for 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine is COC1CCN(C)C1COSC.
What is the InChIKey of 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine?
The InChIKey is ZANAQTXFWWTAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-9-5-4-8(10-2)7(9)6-11-12-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine?
3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-2-(methylsulfanyloxymethyl)pyrrolidine is sourced from PubChem (CID 164904398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).