1-[(4-ethylsulfonylphenyl)methylamino]ethanol

C11H17NO3S — CID 175910689

IUPAC1-[(4-ethylsulfonylphenyl)methylamino]ethanol
SMILESCCS(=O)(=O)c1ccc(CNC(C)O)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(14,15)11-6-4-10(5-7-11)8-12-9(2)13/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyCSEFYWYSLDWAKT-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.91
Rot. Bonds5

About 1-[(4-ethylsulfonylphenyl)methylamino]ethanol

1-[(4-ethylsulfonylphenyl)methylamino]ethanol (PubChem CID 175910689) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-[(4-ethylsulfonylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-[(4-ethylsulfonylphenyl)methylamino]ethanol
PubChem CID175910689
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-[(4-ethylsulfonylphenyl)methylamino]ethanol
SMILESCCS(=O)(=O)c1ccc(CNC(C)O)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(14,15)11-6-4-10(5-7-11)8-12-9(2)13/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyCSEFYWYSLDWAKT-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethylsulfonylphenyl)methyl]-3-propan-2-ylurea
CID 110775350
(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 129398374
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576
N-[(4-ethylsulfonylphenyl)methyl]carbamoyl chloride
CID 115194677
N-(chloromethyl)-1-(4-ethylsulfonylphenyl)methanamine
CID 115263058
1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 122135317
N-[(4-ethylsulfonylphenyl)methyl]-2-oxopropanamide
CID 115175667
N-[[4-(2-methylpropylsulfonyl)phenyl]methyl]ethanamine
CID 82550554
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
1-amino-3-[(4-ethylsulfonylphenyl)methyl]urea
CID 115192674
N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61068703
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylsulfonylphenyl)methylamino]ethanol?
The IUPAC name of 1-[(4-ethylsulfonylphenyl)methylamino]ethanol (CID 175910689) is 1-[(4-ethylsulfonylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-[(4-ethylsulfonylphenyl)methylamino]ethanol?
The canonical SMILES for 1-[(4-ethylsulfonylphenyl)methylamino]ethanol is CCS(=O)(=O)c1ccc(CNC(C)O)cc1.
What is the InChIKey of 1-[(4-ethylsulfonylphenyl)methylamino]ethanol?
The InChIKey is CSEFYWYSLDWAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-16(14,15)11-6-4-10(5-7-11)8-12-9(2)13/h4-7,9,12-13H,3,8H2,1-2H3.
What are the key properties of 1-[(4-ethylsulfonylphenyl)methylamino]ethanol?
1-[(4-ethylsulfonylphenyl)methylamino]ethanol has a molecular weight of 243.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylsulfonylphenyl)methylamino]ethanol is sourced from PubChem (CID 175910689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).