2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol

C11H17NO3S — CID 70333749

IUPAC2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol
SMILESCCNc1cc(S(C)(=O)=O)ccc1CCO
InChIInChI=1S/C11H17NO3S/c1-3-12-11-8-10(16(2,14)15)5-4-9(11)6-7-13/h4-5,8,12-13H,3,6-7H2,1-2H3
InChIKeyIUHZPGNHRJWZDJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.06
Rot. Bonds5

About 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol

2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol (PubChem CID 70333749) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol.

Molecular Properties

Compound Name2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol
PubChem CID70333749
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol
SMILESCCNc1cc(S(C)(=O)=O)ccc1CCO
InChIInChI=1S/C11H17NO3S/c1-3-12-11-8-10(16(2,14)15)5-4-9(11)6-7-13/h4-5,8,12-13H,3,6-7H2,1-2H3
InChIKeyIUHZPGNHRJWZDJ-UHFFFAOYSA-N
XLogP1.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol?
The IUPAC name of 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol (CID 70333749) is 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol.
What is the SMILES notation for 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol?
The canonical SMILES for 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol is CCNc1cc(S(C)(=O)=O)ccc1CCO.
What is the InChIKey of 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol?
The InChIKey is IUHZPGNHRJWZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-12-11-8-10(16(2,14)15)5-4-9(11)6-7-13/h4-5,8,12-13H,3,6-7H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol?
2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol has a molecular weight of 243.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol is sourced from PubChem (CID 70333749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).