2-ethylsulfanyl-N,N-dimethylethenamine

C6H13NS — CID 71393439

IUPAC2-ethylsulfanyl-N,N-dimethylethenamine
SMILESCCSC=CN(C)C
InChIInChI=1S/C6H13NS/c1-4-8-6-5-7(2)3/h5-6H,4H2,1-3H3
InChIKeyXEMLJNLYCNPYIU-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.77
Rot. Bonds3

About 2-ethylsulfanyl-N,N-dimethylethenamine

2-ethylsulfanyl-N,N-dimethylethenamine (PubChem CID 71393439) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N,N-dimethylethenamine
PubChem CID71393439
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2-ethylsulfanyl-N,N-dimethylethenamine
SMILESCCSC=CN(C)C
InChIInChI=1S/C6H13NS/c1-4-8-6-5-7(2)3/h5-6H,4H2,1-3H3
InChIKeyXEMLJNLYCNPYIU-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N,N-dimethylethenamine?
The IUPAC name of 2-ethylsulfanyl-N,N-dimethylethenamine (CID 71393439) is 2-ethylsulfanyl-N,N-dimethylethenamine.
What is the SMILES notation for 2-ethylsulfanyl-N,N-dimethylethenamine?
The canonical SMILES for 2-ethylsulfanyl-N,N-dimethylethenamine is CCSC=CN(C)C.
What is the InChIKey of 2-ethylsulfanyl-N,N-dimethylethenamine?
The InChIKey is XEMLJNLYCNPYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-8-6-5-7(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-N,N-dimethylethenamine?
2-ethylsulfanyl-N,N-dimethylethenamine 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 2-ethylsulfanyl-N,N-dimethylethenamine is sourced from PubChem (CID 71393439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).