2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol

C11H17NO4S — CID 54932020

IUPAC2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
SMILESCOc1cc(CNCCS(C)(=O)=O)ccc1O
InChIInChI=1S/C11H17NO4S/c1-16-11-7-9(3-4-10(11)13)8-12-5-6-17(2,14)15/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyLWTFPZWLUNWJOP-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.54
Rot. Bonds6

About 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol

2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol (PubChem CID 54932020) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
PubChem CID54932020
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
SMILESCOc1cc(CNCCS(C)(=O)=O)ccc1O
InChIInChI=1S/C11H17NO4S/c1-16-11-7-9(3-4-10(11)13)8-12-5-6-17(2,14)15/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyLWTFPZWLUNWJOP-UHFFFAOYSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335720
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 107685628
2-methoxy-4-[(2-methylsulfinylethylamino)methyl]phenol
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4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
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4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
CID 60865183
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
CID 28646730
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
4-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methoxyphenol
CID 103953827
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
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4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol (CID 54932020) is 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol is COc1cc(CNCCS(C)(=O)=O)ccc1O.
What is the InChIKey of 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol?
The InChIKey is LWTFPZWLUNWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-16-11-7-9(3-4-10(11)13)8-12-5-6-17(2,14)15/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol?
2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol has a molecular weight of 259.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol is sourced from PubChem (CID 54932020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).