(Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine

C₈H₁₅NS — CID 154965460

About (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine

(Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine (PubChem CID 154965460) has the molecular formula C₈H₁₅NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine.

Molecular Properties

• Compound Name: (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine
• PubChem CID: 154965460
• Molecular Formula: C₈H₁₅NS
• Molecular Weight: 157.28 g/mol
• Exact Mass: 157.09
• IUPAC Name: (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine
• SMILES: C=CS/C(=C\CC)CNC
• InChI: InChI=1S/C8H15NS/c1-4-6-8(7-9-3)10-5-2/h5-6,9H,2,4,7H2,1,3H3/b8-6-
• InChIKey: AOSXCRFPXIMBOT-VURMDHGXSA-N
• XLogP: 2.38
• TPSA: 12.03 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	157.28
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine?

The IUPAC name of (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine (CID 154965460) is (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine.

What is the SMILES notation for (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine?

The canonical SMILES for (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine is C=CS/C(=C\CC)CNC.

What is the InChIKey of (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine?

The InChIKey is AOSXCRFPXIMBOT-VURMDHGXSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-6-8(7-9-3)10-5-2/h5-6,9H,2,4,7H2,1,3H3/b8-6-.

What are the key properties of (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine?

(Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-ethenylsulfanyl-N-methylpent-2-en-1-amine is sourced from PubChem (CID 154965460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154965460 — identifiers, structure, computed properties (public domain)

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