2-ethenylsulfanyl-N,N-diethylethanamine

C8H17NS — CID 10351961

IUPAC2-ethenylsulfanyl-N,N-diethylethanamine
SMILESC=CSCCN(CC)CC
InChIInChI=1S/C8H17NS/c1-4-9(5-2)7-8-10-6-3/h6H,3-5,7-8H2,1-2H3
InChIKeyGQAOCNJRHMZKBR-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.20
Rot. Bonds6

About 2-ethenylsulfanyl-N,N-diethylethanamine

2-ethenylsulfanyl-N,N-diethylethanamine (PubChem CID 10351961) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-ethenylsulfanyl-N,N-diethylethanamine.

Molecular Properties

Compound Name2-ethenylsulfanyl-N,N-diethylethanamine
PubChem CID10351961
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-ethenylsulfanyl-N,N-diethylethanamine
SMILESC=CSCCN(CC)CC
InChIInChI=1S/C8H17NS/c1-4-9(5-2)7-8-10-6-3/h6H,3-5,7-8H2,1-2H3
InChIKeyGQAOCNJRHMZKBR-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.20
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-diethylethanamine?
The IUPAC name of 2-ethenylsulfanyl-N,N-diethylethanamine (CID 10351961) is 2-ethenylsulfanyl-N,N-diethylethanamine.
What is the SMILES notation for 2-ethenylsulfanyl-N,N-diethylethanamine?
The canonical SMILES for 2-ethenylsulfanyl-N,N-diethylethanamine is C=CSCCN(CC)CC.
What is the InChIKey of 2-ethenylsulfanyl-N,N-diethylethanamine?
The InChIKey is GQAOCNJRHMZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-9(5-2)7-8-10-6-3/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 2-ethenylsulfanyl-N,N-diethylethanamine?
2-ethenylsulfanyl-N,N-diethylethanamine has a molecular weight of 159.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-N,N-diethylethanamine is sourced from PubChem (CID 10351961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).