[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

C14H22N2O4S — CID 81194847

IUPAC[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CC(CO)OCC2C)cc(N)c1C
InChIInChI=1S/C14H22N2O4S/c1-9-4-13(5-14(15)11(9)3)21(18,19)16-6-12(7-17)20-8-10(16)2/h4-5,10,12,17H,6-8,15H2,1-3H3
InChIKeyBGQCIUJAPDUUSQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.66
Rot. Bonds3

About [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (PubChem CID 81194847) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
PubChem CID81194847
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CC(CO)OCC2C)cc(N)c1C
InChIInChI=1S/C14H22N2O4S/c1-9-4-13(5-14(15)11(9)3)21(18,19)16-6-12(7-17)20-8-10(16)2/h4-5,10,12,17H,6-8,15H2,1-3H3
InChIKeyBGQCIUJAPDUUSQ-UHFFFAOYSA-N
XLogP0.66
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-amino-5-fluoro-4-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 116792040
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195724
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[5-methyl-4-(1-methylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
CID 81219581
[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195535
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dimethylaniline
CID 43100497
[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81205329
[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219098
[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776
[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219101
[4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81217308

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (CID 81194847) is [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is Cc1cc(S(=O)(=O)N2CC(CO)OCC2C)cc(N)c1C.
What is the InChIKey of [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is BGQCIUJAPDUUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9-4-13(5-14(15)11(9)3)21(18,19)16-6-12(7-17)20-8-10(16)2/h4-5,10,12,17H,6-8,15H2,1-3H3.
What are the key properties of [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol has a molecular weight of 314.41 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81194847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).