[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

C13H20N2O5S — CID 81195535

IUPAC[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CC(CO)OCC2C)c(N)c1
InChIInChI=1S/C13H20N2O5S/c1-9-8-20-11(7-16)6-15(9)21(17,18)13-4-3-10(19-2)5-12(13)14/h3-5,9,11,16H,6-8,14H2,1-2H3
InChIKeyLLYCDCWAQAGRMX-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.05
Rot. Bonds4

About [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (PubChem CID 81195535) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
PubChem CID81195535
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCOc1ccc(S(=O)(=O)N2CC(CO)OCC2C)c(N)c1
InChIInChI=1S/C13H20N2O5S/c1-9-8-20-11(7-16)6-15(9)21(17,18)13-4-3-10(19-2)5-12(13)14/h3-5,9,11,16H,6-8,14H2,1-2H3
InChIKeyLLYCDCWAQAGRMX-UHFFFAOYSA-N
XLogP0.05
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81205329
[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol
CID 81205715
[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212272
[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81194847
[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776
[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195724
[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219098
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide
CID 81205568
methyl 4-chloro-3-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylbenzoate
CID 97094800
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (CID 81195535) is [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is COc1ccc(S(=O)(=O)N2CC(CO)OCC2C)c(N)c1.
What is the InChIKey of [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is LLYCDCWAQAGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9-8-20-11(7-16)6-15(9)21(17,18)13-4-3-10(19-2)5-12(13)14/h3-5,9,11,16H,6-8,14H2,1-2H3.
What are the key properties of [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol has a molecular weight of 316.38 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81195535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).