4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine

C₁₁H₂₀F₂N₂O₂S — CID 115051911

About 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine

4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine (PubChem CID 115051911) has the molecular formula C₁₁H₂₀F₂N₂O₂S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine
• PubChem CID: 115051911
• Molecular Formula: C₁₁H₂₀F₂N₂O₂S
• Molecular Weight: 282.36 g/mol
• Exact Mass: 282.12
• IUPAC Name: 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine
• SMILES: NC1(C(F)F)CCN(C2CCS(=O)(=O)CC2)CC1
• InChI: InChI=1S/C11H20F2N2O2S/c12-10(13)11(14)3-5-15(6-4-11)9-1-7-18(16,17)8-2-9/h9-10H,1-8,14H2
• InChIKey: KSABCYRTVNJURJ-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 63.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.36
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine?

The IUPAC name of 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine (CID 115051911) is 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine.

What is the SMILES notation for 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine?

The canonical SMILES for 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine is NC1(C(F)F)CCN(C2CCS(=O)(=O)CC2)CC1.

What is the InChIKey of 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine?

The InChIKey is KSABCYRTVNJURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2S/c12-10(13)11(14)3-5-15(6-4-11)9-1-7-18(16,17)8-2-9/h9-10H,1-8,14H2.

What are the key properties of 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine?

4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine has a molecular weight of 282.36 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-4-amine is sourced from PubChem (CID 115051911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115051911 — identifiers, structure, computed properties (public domain)

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