2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine

C12H24N2S — CID 57259403

IUPAC2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine
SMILESCCN(C=CSC=CN(CC)CC)CC
InChIInChI=1S/C12H24N2S/c1-5-13(6-2)9-11-15-12-10-14(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyOHAKSDPLXLHPMF-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds8

About 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine

2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine (PubChem CID 57259403) has the molecular formula C12H24N2S and a molecular weight of 228.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine
PubChem CID57259403
Molecular FormulaC12H24N2S
Molecular Weight228.41 g/mol
Exact Mass228.17
IUPAC Name2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine
SMILESCCN(C=CSC=CN(CC)CC)CC
InChIInChI=1S/C12H24N2S/c1-5-13(6-2)9-11-15-12-10-14(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyOHAKSDPLXLHPMF-UHFFFAOYSA-N
XLogP3.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine?
The IUPAC name of 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine (CID 57259403) is 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine.
What is the SMILES notation for 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine?
The canonical SMILES for 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine is CCN(C=CSC=CN(CC)CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine?
The InChIKey is OHAKSDPLXLHPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-13(6-2)9-11-15-12-10-14(7-3)8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine?
2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine has a molecular weight of 228.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethenylsulfanyl]-N,N-diethylethenamine is sourced from PubChem (CID 57259403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).