[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol

C12H18N2O4S — CID 81205844

IUPAC[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCOC(CO)C2)ccc1N
InChIInChI=1S/C12H18N2O4S/c1-9-6-11(2-3-12(9)13)19(16,17)14-4-5-18-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8,13H2,1H3
InChIKeyVGUIFLRBSLUVGY-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.04
Rot. Bonds3

About [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol

[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81205844) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81205844
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCOC(CO)C2)ccc1N
InChIInChI=1S/C12H18N2O4S/c1-9-6-11(2-3-12(9)13)19(16,17)14-4-5-18-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8,13H2,1H3
InChIKeyVGUIFLRBSLUVGY-UHFFFAOYSA-N
XLogP-0.04
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.04
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-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208390
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide
CID 81209377
[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625967
[4-(2,3-dihydro-1H-indol-6-ylsulfonyl)morpholin-2-yl]methanol
CID 81205308
[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 81218928
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
methyl 4-(3-amino-4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 115533508
[4-(4-amino-3-methylphenyl)morpholin-2-yl]methanol
CID 81206062
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol (CID 81205844) is [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol is Cc1cc(S(=O)(=O)N2CCOC(CO)C2)ccc1N.
What is the InChIKey of [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is VGUIFLRBSLUVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-6-11(2-3-12(9)13)19(16,17)14-4-5-18-10(7-14)8-15/h2-3,6,10,15H,4-5,7-8,13H2,1H3.
What are the key properties of [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol?
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 286.35 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81205844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).