2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide

C₁₀H₂₁N₃O₂S₂ — CID 61119053

About 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide

2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide (PubChem CID 61119053) has the molecular formula C₁₀H₂₁N₃O₂S₂ and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide.

Molecular Properties

• Compound Name: 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
• PubChem CID: 61119053
• Molecular Formula: C₁₀H₂₁N₃O₂S₂
• Molecular Weight: 279.43 g/mol
• Exact Mass: 279.11
• IUPAC Name: 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
• SMILES: CC1CCN(S(=O)(=O)NC(C)(C)C(N)=S)CC1
• InChI: InChI=1S/C10H21N3O2S2/c1-8-4-6-13(7-5-8)17(14,15)12-10(2,3)9(11)16/h8,12H,4-7H2,1-3H3,(H2,11,16)
• InChIKey: LFRBDVSDEHJZAD-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.43
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?

The IUPAC name of 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide (CID 61119053) is 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide.

What is the SMILES notation for 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?

The canonical SMILES for 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide is CC1CCN(S(=O)(=O)NC(C)(C)C(N)=S)CC1.

What is the InChIKey of 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?

The InChIKey is LFRBDVSDEHJZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-8-4-6-13(7-5-8)17(14,15)12-10(2,3)9(11)16/h8,12H,4-7H2,1-3H3,(H2,11,16).

What are the key properties of 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?

2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide has a molecular weight of 279.43 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide is sourced from PubChem (CID 61119053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61119053 — identifiers, structure, computed properties (public domain)

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