1-ethenylsulfanyl-N,N-dimethylethanamine

C6H13NS — CID 22465143

IUPAC1-ethenylsulfanyl-N,N-dimethylethanamine
SMILESC=CSC(C)N(C)C
InChIInChI=1S/C6H13NS/c1-5-8-6(2)7(3)4/h5-6H,1H2,2-4H3
InChIKeyBQMHWQPMCRTJKI-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.77
Rot. Bonds3

About 1-ethenylsulfanyl-N,N-dimethylethanamine

1-ethenylsulfanyl-N,N-dimethylethanamine (PubChem CID 22465143) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 1-ethenylsulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-ethenylsulfanyl-N,N-dimethylethanamine
PubChem CID22465143
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name1-ethenylsulfanyl-N,N-dimethylethanamine
SMILESC=CSC(C)N(C)C
InChIInChI=1S/C6H13NS/c1-5-8-6(2)7(3)4/h5-6H,1H2,2-4H3
InChIKeyBQMHWQPMCRTJKI-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenylsulfanyl-N,N-dimethylethanamine?
The IUPAC name of 1-ethenylsulfanyl-N,N-dimethylethanamine (CID 22465143) is 1-ethenylsulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 1-ethenylsulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 1-ethenylsulfanyl-N,N-dimethylethanamine is C=CSC(C)N(C)C.
What is the InChIKey of 1-ethenylsulfanyl-N,N-dimethylethanamine?
The InChIKey is BQMHWQPMCRTJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-8-6(2)7(3)4/h5-6H,1H2,2-4H3.
What are the key properties of 1-ethenylsulfanyl-N,N-dimethylethanamine?
1-ethenylsulfanyl-N,N-dimethylethanamine has a molecular weight of 131.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 22465143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).