(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide

C₁₆H₂₇NOS — CID 135005703

About (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide (PubChem CID 135005703) has the molecular formula C₁₆H₂₇NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
• PubChem CID: 135005703
• Molecular Formula: C₁₆H₂₇NOS
• Molecular Weight: 281.46 g/mol
• Exact Mass: 281.18
• IUPAC Name: (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
• SMILES: CCCCC[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C16H27NOS/c1-5-6-8-13-15(14-11-9-7-10-12-14)17-19(18)16(2,3)4/h7,9-12,15,17H,5-6,8,13H2,1-4H3/t15-,19-/m1/s1
• InChIKey: UVCUQLGMIPCFAR-DNVCBOLYSA-N
• XLogP: 4.36
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.46
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide?

The IUPAC name of (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide (CID 135005703) is (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide.

What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide?

The canonical SMILES for (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide is CCCCC[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1.

What is the InChIKey of (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide?

The InChIKey is UVCUQLGMIPCFAR-DNVCBOLYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-6-8-13-15(14-11-9-7-10-12-14)17-19(18)16(2,3)4/h7,9-12,15,17H,5-6,8,13H2,1-4H3/t15-,19-/m1/s1.

What are the key properties of (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide?

(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide has a molecular weight of 281.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide is sourced from PubChem (CID 135005703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135005703 — identifiers, structure, computed properties (public domain)

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