2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol

C11H17NO3S — CID 82497407

IUPAC2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol
SMILESCC(C)S(=O)(=O)c1ccc(C(O)CN)cc1
InChIInChI=1S/C11H17NO3S/c1-8(2)16(14,15)10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyAQHZIVWADOFUFB-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.86
Rot. Bonds4

About 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol

2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol (PubChem CID 82497407) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol
PubChem CID82497407
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol
SMILESCC(C)S(=O)(=O)c1ccc(C(O)CN)cc1
InChIInChI=1S/C11H17NO3S/c1-8(2)16(14,15)10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyAQHZIVWADOFUFB-UHFFFAOYSA-N
XLogP0.86
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol?
The IUPAC name of 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol (CID 82497407) is 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol is CC(C)S(=O)(=O)c1ccc(C(O)CN)cc1.
What is the InChIKey of 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol?
The InChIKey is AQHZIVWADOFUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8(2)16(14,15)10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol?
2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol has a molecular weight of 243.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol is sourced from PubChem (CID 82497407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).