N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine

C₄H₁₂F₂N₂O₂S — CID 163275572

About N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine

N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 163275572) has the molecular formula C₄H₁₂F₂N₂O₂S and a molecular weight of 190.21 g/mol. Its IUPAC name is N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine
• PubChem CID: 163275572
• Molecular Formula: C₄H₁₂F₂N₂O₂S
• Molecular Weight: 190.21 g/mol
• Exact Mass: 190.06
• IUPAC Name: N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine
• SMILES: CN(CC(C)(F)F)S(N)(O)O
• InChI: InChI=1S/C4H12F2N2O2S/c1-4(5,6)3-8(2)11(7,9)10/h9-10H,3,7H2,1-2H3
• InChIKey: LIABULNSMFMVLB-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 69.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	190.21
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine?

The IUPAC name of N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine (CID 163275572) is N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine.

What is the SMILES notation for N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine?

The canonical SMILES for N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine is CN(CC(C)(F)F)S(N)(O)O.

What is the InChIKey of N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine?

The InChIKey is LIABULNSMFMVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12F2N2O2S/c1-4(5,6)3-8(2)11(7,9)10/h9-10H,3,7H2,1-2H3.

What are the key properties of N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine?

N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 190.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[amino(dihydroxy)-λ4-sulfanyl]-2,2-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 163275572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163275572 — identifiers, structure, computed properties (public domain)

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