[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol

C13H20N2O4S — CID 102931892

IUPAC[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2ccc(S(C)(=O)=O)cc2N)CC(CO)O1
InChIInChI=1S/C13H20N2O4S/c1-9-6-15(7-10(8-16)19-9)13-4-3-11(5-12(13)14)20(2,17)18/h3-5,9-10,16H,6-8,14H2,1-2H3
InChIKeyXALSLLKOZMAZFG-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.26
Rot. Bonds3

About [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol

[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102931892) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
PubChem CID102931892
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2ccc(S(C)(=O)=O)cc2N)CC(CO)O1
InChIInChI=1S/C13H20N2O4S/c1-9-6-15(7-10(8-16)19-9)13-4-3-11(5-12(13)14)20(2,17)18/h3-5,9-10,16H,6-8,14H2,1-2H3
InChIKeyXALSLLKOZMAZFG-UHFFFAOYSA-N
XLogP0.26
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.26
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-(2,6-dimethylmorpholin-4-yl)-5-methylsulfonylaniline
CID 43447927
5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide
CID 102931949
[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
CID 102935217
[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol
CID 102931988
[1-(2-amino-4-methylsulfonylphenyl)pyrrolidin-3-yl]methanol
CID 112623984
2-(2-methyl-1,4-oxazepan-4-yl)-5-methylsulfonylaniline
CID 55152193
4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
CID 42926998
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935175
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol (CID 102931892) is [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol is CC1CN(c2ccc(S(C)(=O)=O)cc2N)CC(CO)O1.
What is the InChIKey of [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is XALSLLKOZMAZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9-6-15(7-10(8-16)19-9)13-4-3-11(5-12(13)14)20(2,17)18/h3-5,9-10,16H,6-8,14H2,1-2H3.
What are the key properties of [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol?
[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 300.38 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102931892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).