2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

C10H16ClNO2S — CID 71757166

IUPAC2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCC(CN)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-8(7-11)9-3-5-10(6-4-9)14(2,12)13;/h3-6,8H,7,11H2,1-2H3;1H
InChIKeyAHMPROPZDVXSNB-UHFFFAOYSA-N
MW249.76 g/mol
LogP1.57
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride

2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (PubChem CID 71757166) has the molecular formula C10H16ClNO2S and a molecular weight of 249.76 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
PubChem CID71757166
Molecular FormulaC10H16ClNO2S
Molecular Weight249.76 g/mol
Exact Mass249.06
IUPAC Name2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
SMILESCC(CN)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-8(7-11)9-3-5-10(6-4-9)14(2,12)13;/h3-6,8H,7,11H2,1-2H3;1H
InChIKeyAHMPROPZDVXSNB-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride (CID 71757166) is 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is CC(CN)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
The InChIKey is AHMPROPZDVXSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S.ClH/c1-8(7-11)9-3-5-10(6-4-9)14(2,12)13;/h3-6,8H,7,11H2,1-2H3;1H.
What are the key properties of 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride?
2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride has a molecular weight of 249.76 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 71757166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).