1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine

C8H15NS2 — CID 163936129

IUPAC1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine
SMILESC=CN1CCCC1SCSC
InChIInChI=1S/C8H15NS2/c1-3-9-6-4-5-8(9)11-7-10-2/h3,8H,1,4-7H2,2H3
InChIKeyRMYUZKZRZZBVNF-UHFFFAOYSA-N
MW189.35 g/mol
LogP2.61
Rot. Bonds4

About 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine

1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine (PubChem CID 163936129) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine.

Molecular Properties

Compound Name1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine
PubChem CID163936129
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine
SMILESC=CN1CCCC1SCSC
InChIInChI=1S/C8H15NS2/c1-3-9-6-4-5-8(9)11-7-10-2/h3,8H,1,4-7H2,2H3
InChIKeyRMYUZKZRZZBVNF-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 52.61
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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Related Compounds

2,3-diethyl-2H-1,3-thiazole
CID 146223311
3-butyl-2H-1,3-thiazole-2-carbothialdehyde
CID 174795984
3,5-Diethyl-2-methylidene-1,3-thiazolidine
CID 143042511

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine?
The IUPAC name of 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine (CID 163936129) is 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine.
What is the SMILES notation for 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine?
The canonical SMILES for 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine is C=CN1CCCC1SCSC.
What is the InChIKey of 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine?
The InChIKey is RMYUZKZRZZBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-3-9-6-4-5-8(9)11-7-10-2/h3,8H,1,4-7H2,2H3.
What are the key properties of 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine?
1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine has a molecular weight of 189.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(methylsulfanylmethylsulfanyl)pyrrolidine is sourced from PubChem (CID 163936129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).