N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

C14H24N2O4S — CID 63860315

IUPACN-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCOc1ccc(C(C)NCC(C)(C)NS(C)(=O)=O)c(O)c1
InChIInChI=1S/C14H24N2O4S/c1-10(12-7-6-11(20-4)8-13(12)17)15-9-14(2,3)16-21(5,18)19/h6-8,10,15-17H,9H2,1-5H3
InChIKeyYKSQLRCHPZVSRG-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.38
Rot. Bonds7

About N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63860315) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63860315
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCOc1ccc(C(C)NCC(C)(C)NS(C)(=O)=O)c(O)c1
InChIInChI=1S/C14H24N2O4S/c1-10(12-7-6-11(20-4)8-13(12)17)15-9-14(2,3)16-21(5,18)19/h6-8,10,15-17H,9H2,1-5H3
InChIKeyYKSQLRCHPZVSRG-UHFFFAOYSA-N
XLogP1.38
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141611
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
CID 63858949
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
2-[1-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]-5-methoxyphenol
CID 104582540
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
N-[2-methyl-1-[1-(2,3,4-trichlorophenyl)ethylamino]propan-2-yl]methanesulfonamide
CID 63861056
N-[1-[1-(2-bromo-4-fluorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902045
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409
2-[1-(2-chloroprop-2-enylamino)ethyl]-5-methoxyphenol
CID 104583240
2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol
CID 64682826

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63860315) is N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is COc1ccc(C(C)NCC(C)(C)NS(C)(=O)=O)c(O)c1.
What is the InChIKey of N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is YKSQLRCHPZVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-10(12-7-6-11(20-4)8-13(12)17)15-9-14(2,3)16-21(5,18)19/h6-8,10,15-17H,9H2,1-5H3.
What are the key properties of N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).