[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

C14H22N2O4S — CID 81195724

IUPAC[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCc1ccc(N)c(S(=O)(=O)N2CC(CO)OCC2C)c1C
InChIInChI=1S/C14H22N2O4S/c1-9-4-5-13(15)14(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
InChIKeyOPXUGNCYCFCUGF-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.66
Rot. Bonds3

About [4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (PubChem CID 81195724) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is [4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
PubChem CID81195724
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCc1ccc(N)c(S(=O)(=O)N2CC(CO)OCC2C)c1C
InChIInChI=1S/C14H22N2O4S/c1-9-4-5-13(15)14(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
InChIKeyOPXUGNCYCFCUGF-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

CID 61140839
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CID 81194216
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CID 81195372
CID 81195372
CID 81195540
CID 81195540
CID 81205403
CID 81205403
CID 81205477
CID 81205477
CID 81206496
CID 81206496
CID 102931824
CID 102931824
CID 102931858
CID 102931858
CID 102931871
CID 102931871
CID 102931872
CID 102931872
CID 107478072
CID 107478072

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (CID 81195724) is [4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is Cc1ccc(N)c(S(=O)(=O)N2CC(CO)OCC2C)c1C.
What is the InChIKey of [4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is OPXUGNCYCFCUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9-4-5-13(15)14(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-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
[4-(6-amino-2,3-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-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81195724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).