2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol

C14H23NO3S — CID 54934596

IUPAC2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)12-4-6-13(7-5-12)14(16)10-15-8-9-19(3,17)18/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyMYJIDQFRCBNNDV-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.48
Rot. Bonds7

About 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol

2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 54934596) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID54934596
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)12-4-6-13(7-5-12)14(16)10-15-8-9-19(3,17)18/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyMYJIDQFRCBNNDV-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
CID 60918702
(1S)-2-(3-methylsulfonylpropylamino)-1-phenylethanol
CID 93451131
4-methylsulfonyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 55160995
1-(3-bromophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935167
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764
2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63964232
N-(2-methylsulfonylethyl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 62583167
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305
1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935215
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 112511125
2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol (CID 54934596) is 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CNCCS(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is MYJIDQFRCBNNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)12-4-6-13(7-5-12)14(16)10-15-8-9-19(3,17)18/h4-7,11,14-16H,8-10H2,1-3H3.
What are the key properties of 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol?
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 285.41 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 54934596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).