[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine

C₁₄H₂₉N₃O₂S — CID 58561727

About [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine

[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine (PubChem CID 58561727) has the molecular formula C₁₄H₂₉N₃O₂S and a molecular weight of 303.47 g/mol. Its IUPAC name is [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine.

Molecular Properties

• Compound Name: [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
• PubChem CID: 58561727
• Molecular Formula: C₁₄H₂₉N₃O₂S
• Molecular Weight: 303.47 g/mol
• Exact Mass: 303.20
• IUPAC Name: [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
• SMILES: CCCS(=O)(=O)N1CCN(C2(CN)CCCCC2)CC1
• InChI: InChI=1S/C14H29N3O2S/c1-2-12-20(18,19)17-10-8-16(9-11-17)14(13-15)6-4-3-5-7-14/h2-13,15H2,1H3
• InChIKey: WRIQMQRSORFQQM-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 66.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.47
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine?

The IUPAC name of [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine (CID 58561727) is [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine.

What is the SMILES notation for [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine?

The canonical SMILES for [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine is CCCS(=O)(=O)N1CCN(C2(CN)CCCCC2)CC1.

What is the InChIKey of [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine?

The InChIKey is WRIQMQRSORFQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-2-12-20(18,19)17-10-8-16(9-11-17)14(13-15)6-4-3-5-7-14/h2-13,15H2,1H3.

What are the key properties of [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine?

[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine has a molecular weight of 303.47 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 58561727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58561727 — identifiers, structure, computed properties (public domain)

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