3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane

C9H19NOS — CID 143851763

IUPAC3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane
SMILESC=CC1(SC)CCNC1.COC
InChIInChI=1S/C7H13NS.C2H6O/c1-3-7(9-2)4-5-8-6-7;1-3-2/h3,8H,1,4-6H2,2H3;1-2H3
InChIKeyJQJHBEDIGNATPA-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.53
Rot. Bonds2

About 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane

3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane (PubChem CID 143851763) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane.

Molecular Properties

Compound Name3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane
PubChem CID143851763
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane
SMILESC=CC1(SC)CCNC1.COC
InChIInChI=1S/C7H13NS.C2H6O/c1-3-7(9-2)4-5-8-6-7;1-3-2/h3,8H,1,4-6H2,2H3;1-2H3
InChIKeyJQJHBEDIGNATPA-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-3-methylsulfanylpyrrolidine
CID 146248048
(3S)-3-methoxy-3-methylpyrrolidine
CID 98774544
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 83815669
(E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine
CID 127001367
3-methylsulfanylpyrrolidine-3-carboxylic acid
CID 68632027
4-ethenylpiperidine-4-carbaldehyde;methoxyethane
CID 170591163
ethane;3-(fluoromethyl)-3-methylpyrrolidine
CID 178041858
N-(2-methoxyethyl)-N-[(4-methylpiperidin-4-yl)methyl]prop-2-en-1-amine
CID 103339377

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane?
The IUPAC name of 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane (CID 143851763) is 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane.
What is the SMILES notation for 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane?
The canonical SMILES for 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane is C=CC1(SC)CCNC1.COC.
What is the InChIKey of 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane?
The InChIKey is JQJHBEDIGNATPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS.C2H6O/c1-3-7(9-2)4-5-8-6-7;1-3-2/h3,8H,1,4-6H2,2H3;1-2H3.
What are the key properties of 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane?
3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane has a molecular weight of 189.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane is sourced from PubChem (CID 143851763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).