4-[(2-ethylsulfonylethylamino)methyl]phenol

C11H17NO3S — CID 91133577

IUPAC4-[(2-ethylsulfonylethylamino)methyl]phenol
SMILESCCS(=O)(=O)CCNCc1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-2-16(14,15)8-7-12-9-10-3-5-11(13)6-4-10/h3-6,12-13H,2,7-9H2,1H3
InChIKeyHENMKQXPGFSHCQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.92
Rot. Bonds6

About 4-[(2-ethylsulfonylethylamino)methyl]phenol

4-[(2-ethylsulfonylethylamino)methyl]phenol (PubChem CID 91133577) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[(2-ethylsulfonylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(2-ethylsulfonylethylamino)methyl]phenol
PubChem CID91133577
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-[(2-ethylsulfonylethylamino)methyl]phenol
SMILESCCS(=O)(=O)CCNCc1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-2-16(14,15)8-7-12-9-10-3-5-11(13)6-4-10/h3-6,12-13H,2,7-9H2,1H3
InChIKeyHENMKQXPGFSHCQ-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylsulfonylethylamino)methyl]phenol?
The IUPAC name of 4-[(2-ethylsulfonylethylamino)methyl]phenol (CID 91133577) is 4-[(2-ethylsulfonylethylamino)methyl]phenol.
What is the SMILES notation for 4-[(2-ethylsulfonylethylamino)methyl]phenol?
The canonical SMILES for 4-[(2-ethylsulfonylethylamino)methyl]phenol is CCS(=O)(=O)CCNCc1ccc(O)cc1.
What is the InChIKey of 4-[(2-ethylsulfonylethylamino)methyl]phenol?
The InChIKey is HENMKQXPGFSHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-16(14,15)8-7-12-9-10-3-5-11(13)6-4-10/h3-6,12-13H,2,7-9H2,1H3.
What are the key properties of 4-[(2-ethylsulfonylethylamino)methyl]phenol?
4-[(2-ethylsulfonylethylamino)methyl]phenol has a molecular weight of 243.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylsulfonylethylamino)methyl]phenol is sourced from PubChem (CID 91133577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).