2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol

C14H23NO4S — CID 115609423

IUPAC2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCOCC(C)(C)NCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO4S/c1-14(2,10-19-3)15-9-13(16)11-5-7-12(8-6-11)20(4,17)18/h5-8,13,15-16H,9-10H2,1-4H3
InChIKeyBFQPLYOAYQYZEZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.14
Rot. Bonds7

About 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol

2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 115609423) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol
PubChem CID115609423
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCOCC(C)(C)NCC(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO4S/c1-14(2,10-19-3)15-9-13(16)11-5-7-12(8-6-11)20(4,17)18/h5-8,13,15-16H,9-10H2,1-4H3
InChIKeyBFQPLYOAYQYZEZ-UHFFFAOYSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 134298683
2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
3-amino-4-methoxy-1-(4-methylsulfonylphenyl)butan-1-ol
CID 112629926
1-(4-methylsulfonylphenyl)-2-(pyrrol-1-ylamino)ethanol
CID 79100079
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide
CID 112673881
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521
2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol (CID 115609423) is 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol is COCC(C)(C)NCC(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is BFQPLYOAYQYZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-14(2,10-19-3)15-9-13(16)11-5-7-12(8-6-11)20(4,17)18/h5-8,13,15-16H,9-10H2,1-4H3.
What are the key properties of 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol?
2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 301.41 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 115609423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).