4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide

C₁₀H₂₁N₃O₃S₂ — CID 66381881

About 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide

4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide (PubChem CID 66381881) has the molecular formula C₁₀H₂₁N₃O₃S₂ and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide.

Molecular Properties

• Compound Name: 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
• PubChem CID: 66381881
• Molecular Formula: C₁₀H₂₁N₃O₃S₂
• Molecular Weight: 295.43 g/mol
• Exact Mass: 295.10
• IUPAC Name: 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide
• SMILES: CC(CCC(=O)NN)N1CCSCC1S(C)(=O)=O
• InChI: InChI=1S/C10H21N3O3S2/c1-8(3-4-9(14)12-11)13-5-6-17-7-10(13)18(2,15)16/h8,10H,3-7,11H2,1-2H3,(H,12,14)
• InChIKey: WFYCGVUYFCJETP-UHFFFAOYSA-N
• XLogP: -0.44
• TPSA: 92.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.43
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide?

The IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide (CID 66381881) is 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide.

What is the SMILES notation for 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide?

The canonical SMILES for 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide is CC(CCC(=O)NN)N1CCSCC1S(C)(=O)=O.

What is the InChIKey of 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide?

The InChIKey is WFYCGVUYFCJETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S2/c1-8(3-4-9(14)12-11)13-5-6-17-7-10(13)18(2,15)16/h8,10H,3-7,11H2,1-2H3,(H,12,14).

What are the key properties of 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide?

4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide has a molecular weight of 295.43 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methylsulfonylthiomorpholin-4-yl)pentanehydrazide is sourced from PubChem (CID 66381881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66381881 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.