2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine

C₈H₁₇NS — CID 103068144

About 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine

2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068144) has the molecular formula C₈H₁₇NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

• Compound Name: 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
• PubChem CID: 103068144
• Molecular Formula: C₈H₁₇NS
• Molecular Weight: 159.30 g/mol
• Exact Mass: 159.11
• IUPAC Name: 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine
• SMILES: C=C(CN)CSCC(C)C
• InChI: InChI=1S/C8H17NS/c1-7(2)5-10-6-8(3)4-9/h7H,3-6,9H2,1-2H3
• InChIKey: JYLPSHOSSIOMEO-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	159.30
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?

The IUPAC name of 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine (CID 103068144) is 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine.

What is the SMILES notation for 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?

The canonical SMILES for 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine is C=C(CN)CSCC(C)C.

What is the InChIKey of 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?

The InChIKey is JYLPSHOSSIOMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)5-10-6-8(3)4-9/h7H,3-6,9H2,1-2H3.

What are the key properties of 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine?

2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylpropylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103068144 — identifiers, structure, computed properties (public domain)

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