About N-ethyl-N-methylsulfanylprop-2-en-1-amine
N-ethyl-N-methylsulfanylprop-2-en-1-amine (PubChem CID 89020863) has the molecular formula C6H13NS
and a molecular weight of 131.24 g/mol. Its IUPAC name is N-ethyl-N-methylsulfanylprop-2-en-1-amine.
Molecular Properties
| Compound Name | N-ethyl-N-methylsulfanylprop-2-en-1-amine |
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| PubChem CID | 89020863 |
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| Molecular Formula | C6H13NS |
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| Molecular Weight | 131.24 g/mol |
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| Exact Mass | 131.08 |
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| IUPAC Name | N-ethyl-N-methylsulfanylprop-2-en-1-amine |
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| SMILES | C=CCN(CC)SC |
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| InChI | InChI=1S/C6H13NS/c1-4-6-7(5-2)8-3/h4H,1,5-6H2,2-3H3 |
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| InChIKey | ZDYHBNPPHMFYKA-UHFFFAOYSA-N |
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| XLogP | 1.77 |
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| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 131.24 |
| LogP ≤ 5 | 1.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-ethyl-N-methylsulfanylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-methylsulfanylprop-2-en-1-amine (CID 89020863) is N-ethyl-N-methylsulfanylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-methylsulfanylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-methylsulfanylprop-2-en-1-amine is C=CCN(CC)SC.
What is the InChIKey of N-ethyl-N-methylsulfanylprop-2-en-1-amine?
The InChIKey is ZDYHBNPPHMFYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-6-7(5-2)8-3/h4H,1,5-6H2,2-3H3.
What are the key properties of N-ethyl-N-methylsulfanylprop-2-en-1-amine?
N-ethyl-N-methylsulfanylprop-2-en-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 89020863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).