(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

C₁₀H₁₆ClNO₂S — CID 162344090

About (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (PubChem CID 162344090) has the molecular formula C₁₀H₁₆ClNO₂S and a molecular weight of 249.76 g/mol. Its IUPAC name is (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
• PubChem CID: 162344090
• Molecular Formula: C₁₀H₁₆ClNO₂S
• Molecular Weight: 249.76 g/mol
• Exact Mass: 249.06
• IUPAC Name: (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
• SMILES: CC[C@H](N)c1ccc(S(C)(=O)=O)cc1.Cl
• InChI: InChI=1S/C10H15NO2S.ClH/c1-3-10(11)8-4-6-9(7-5-8)14(2,12)13;/h4-7,10H,3,11H2,1-2H3;1H/t10-;/m0./s1
• InChIKey: QQFMYVCGLZUZMC-PPHPATTJSA-N
• XLogP: 1.92
• TPSA: 60.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.76
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?

The IUPAC name of (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (CID 162344090) is (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.

What is the SMILES notation for (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?

The canonical SMILES for (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is CC[C@H](N)c1ccc(S(C)(=O)=O)cc1.Cl.

What is the InChIKey of (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?

The InChIKey is QQFMYVCGLZUZMC-PPHPATTJSA-N. The full InChI is InChI=1S/C10H15NO2S.ClH/c1-3-10(11)8-4-6-9(7-5-8)14(2,12)13;/h4-7,10H,3,11H2,1-2H3;1H/t10-;/m0./s1.

What are the key properties of (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?

(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride has a molecular weight of 249.76 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 162344090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162344090 — identifiers, structure, computed properties (public domain)

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