1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol

C14H23NO4S — CID 104760199

IUPAC1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
SMILESCC(C)OCCNCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO4S/c1-11(2)19-9-8-15-10-14(16)12-4-6-13(7-5-12)20(3,17)18/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyWWZKRZSPGWZIKE-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.14
Rot. Bonds8

About 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol

1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol (PubChem CID 104760199) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
PubChem CID104760199
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
SMILESCC(C)OCCNCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO4S/c1-11(2)19-9-8-15-10-14(16)12-4-6-13(7-5-12)20(3,17)18/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyWWZKRZSPGWZIKE-UHFFFAOYSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521
N-[1-(4-methylsulfonylphenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43207436
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]-3-methylbutan-1-ol
CID 66090470
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250
1-(4-methylsulfonylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106401084
1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312948
1-(4-ethylphenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312624

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol (CID 104760199) is 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol is CC(C)OCCNCC(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol?
The InChIKey is WWZKRZSPGWZIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-11(2)19-9-8-15-10-14(16)12-4-6-13(7-5-12)20(3,17)18/h4-7,11,14-16H,8-10H2,1-3H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol?
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol has a molecular weight of 301.41 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol is sourced from PubChem (CID 104760199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).