2-ethenylsulfanyl-N,N-dimethylethanamine

C6H13NS — CID 4652887

IUPAC2-ethenylsulfanyl-N,N-dimethylethanamine
SMILESC=CSCCN(C)C
InChIInChI=1S/C6H13NS/c1-4-8-6-5-7(2)3/h4H,1,5-6H2,2-3H3
InChIKeyCBRXCJKZQIQWEG-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.42
Rot. Bonds4

About 2-ethenylsulfanyl-N,N-dimethylethanamine

2-ethenylsulfanyl-N,N-dimethylethanamine (PubChem CID 4652887) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-ethenylsulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-ethenylsulfanyl-N,N-dimethylethanamine
PubChem CID4652887
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2-ethenylsulfanyl-N,N-dimethylethanamine
SMILESC=CSCCN(C)C
InChIInChI=1S/C6H13NS/c1-4-8-6-5-7(2)3/h4H,1,5-6H2,2-3H3
InChIKeyCBRXCJKZQIQWEG-UHFFFAOYSA-N
XLogP1.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-ethenylsulfanyl-N,N-dimethylethanamine (CID 4652887) is 2-ethenylsulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-ethenylsulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-ethenylsulfanyl-N,N-dimethylethanamine is C=CSCCN(C)C.
What is the InChIKey of 2-ethenylsulfanyl-N,N-dimethylethanamine?
The InChIKey is CBRXCJKZQIQWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-8-6-5-7(2)3/h4H,1,5-6H2,2-3H3.
What are the key properties of 2-ethenylsulfanyl-N,N-dimethylethanamine?
2-ethenylsulfanyl-N,N-dimethylethanamine has a molecular weight of 131.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 4652887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).