1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol

C14H23NO4S — CID 115476755

IUPAC1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCOCCNCC(O)CS(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C14H23NO4S/c1-12-5-3-4-6-13(12)10-20(17,18)11-14(16)9-15-7-8-19-2/h3-6,14-16H,7-11H2,1-2H3
InChIKeyMWULOVHTPLQLJP-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.51
Rot. Bonds9

About 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol

1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol (PubChem CID 115476755) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
PubChem CID115476755
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
SMILESCOCCNCC(O)CS(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C14H23NO4S/c1-12-5-3-4-6-13(12)10-20(17,18)11-14(16)9-15-7-8-19-2/h3-6,14-16H,7-11H2,1-2H3
InChIKeyMWULOVHTPLQLJP-UHFFFAOYSA-N
XLogP0.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476752
N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine
CID 64675850
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997
1-(2-methoxyethoxy)-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 106990151
1-(4-chlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
CID 115476465
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
CID 47559298
1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
CID 115476512
1-[(2-chlorophenyl)methylsulfinyl]-3-(2-methoxyethylamino)propan-2-ol
CID 103291641
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
1-benzylsulfonyl-3-methoxypropan-2-ol
CID 6456201
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol (CID 115476755) is 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol is COCCNCC(O)CS(=O)(=O)Cc1ccccc1C.
What is the InChIKey of 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol?
The InChIKey is MWULOVHTPLQLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-12-5-3-4-6-13(12)10-20(17,18)11-14(16)9-15-7-8-19-2/h3-6,14-16H,7-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol?
1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol has a molecular weight of 301.41 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol is sourced from PubChem (CID 115476755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).