ZMSSOMSRQLGFOX-UHFFFAOYSA-N

C₉H₁₉NOS — CID 15232581

About ZMSSOMSRQLGFOX-UHFFFAOYSA-N

ZMSSOMSRQLGFOX-UHFFFAOYSA-N (PubChem CID 15232581) has the molecular formula C₉H₁₉NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-(2-ethylsulfinylethyl)piperidine.

Molecular Properties

• Compound Name: ZMSSOMSRQLGFOX-UHFFFAOYSA-N
• PubChem CID: 15232581
• Molecular Formula: C₉H₁₉NOS
• Molecular Weight: 189.32 g/mol
• Exact Mass: 189.12
• IUPAC Name: 1-(2-ethylsulfinylethyl)piperidine
• SMILES: CCS(=O)CCN1CCCCC1
• InChI: InChI=1S/C9H19NOS/c1-2-12(11)9-8-10-6-4-3-5-7-10/h2-9H2,1H3
• InChIKey: ZMSSOMSRQLGFOX-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	189.32
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of ZMSSOMSRQLGFOX-UHFFFAOYSA-N?

The IUPAC name of ZMSSOMSRQLGFOX-UHFFFAOYSA-N (CID 15232581) is 1-(2-ethylsulfinylethyl)piperidine.

What is the SMILES notation for ZMSSOMSRQLGFOX-UHFFFAOYSA-N?

The canonical SMILES for ZMSSOMSRQLGFOX-UHFFFAOYSA-N is CCS(=O)CCN1CCCCC1.

What is the InChIKey of ZMSSOMSRQLGFOX-UHFFFAOYSA-N?

The InChIKey is ZMSSOMSRQLGFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-12(11)9-8-10-6-4-3-5-7-10/h2-9H2,1H3.

What are the key properties of ZMSSOMSRQLGFOX-UHFFFAOYSA-N?

ZMSSOMSRQLGFOX-UHFFFAOYSA-N has a molecular weight of 189.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ZMSSOMSRQLGFOX-UHFFFAOYSA-N is sourced from PubChem (CID 15232581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15232581 — identifiers, structure, computed properties (public domain)

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