About N-(2-methylsulfanylethyl)prop-2-en-1-amine
N-(2-methylsulfanylethyl)prop-2-en-1-amine (PubChem CID 60685739) has the molecular formula C6H13NS
and a molecular weight of 131.24 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)prop-2-en-1-amine.
Molecular Properties
| Compound Name | N-(2-methylsulfanylethyl)prop-2-en-1-amine |
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| PubChem CID | 60685739 |
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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-(2-methylsulfanylethyl)prop-2-en-1-amine |
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| SMILES | C=CCNCCSC |
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| InChI | InChI=1S/C6H13NS/c1-3-4-7-5-6-8-2/h3,7H,1,4-6H2,2H3 |
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| InChIKey | AENJQBOLLIZTNO-UHFFFAOYSA-N |
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| XLogP | 1.12 |
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| TPSA | 12.03 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 5 |
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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 |
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| MW ≤ 500 | 131.24 |
| LogP ≤ 5 | 1.12 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-methylsulfanylethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-methylsulfanylethyl)prop-2-en-1-amine (CID 60685739) is N-(2-methylsulfanylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)prop-2-en-1-amine is C=CCNCCSC.
What is the InChIKey of N-(2-methylsulfanylethyl)prop-2-en-1-amine?
The InChIKey is AENJQBOLLIZTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-4-7-5-6-8-2/h3,7H,1,4-6H2,2H3.
What are the key properties of N-(2-methylsulfanylethyl)prop-2-en-1-amine?
N-(2-methylsulfanylethyl)prop-2-en-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)prop-2-en-1-amine is sourced from PubChem (CID 60685739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).