1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine

C9H19NOS — CID 146554316

IUPAC1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine
SMILESCSC(C)OCC1CCN(C)C1
InChIInChI=1S/C9H19NOS/c1-8(12-3)11-7-9-4-5-10(2)6-9/h8-9H,4-7H2,1-3H3
InChIKeyUBVXDGGUGDKBER-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.66
Rot. Bonds4

About 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine

1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine (PubChem CID 146554316) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine
PubChem CID146554316
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine
SMILESCSC(C)OCC1CCN(C)C1
InChIInChI=1S/C9H19NOS/c1-8(12-3)11-7-9-4-5-10(2)6-9/h8-9H,4-7H2,1-3H3
InChIKeyUBVXDGGUGDKBER-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine?
The IUPAC name of 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine (CID 146554316) is 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine is CSC(C)OCC1CCN(C)C1.
What is the InChIKey of 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine?
The InChIKey is UBVXDGGUGDKBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(12-3)11-7-9-4-5-10(2)6-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine?
1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine has a molecular weight of 189.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylsulfanylethoxymethyl)pyrrolidine is sourced from PubChem (CID 146554316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).