methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate

C13H18N2O5S — CID 115533480

IUPACmethyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)c2c(C)cccc2N)CCO1
InChIInChI=1S/C13H18N2O5S/c1-9-4-3-5-10(14)12(9)21(17,18)15-6-7-20-11(8-15)13(16)19-2/h3-5,11H,6-8,14H2,1-2H3
InChIKeyGBMJTIWKWUPDGZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.14
Rot. Bonds3

About methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate

methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate (PubChem CID 115533480) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate
PubChem CID115533480
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Namemethyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)c2c(C)cccc2N)CCO1
InChIInChI=1S/C13H18N2O5S/c1-9-4-3-5-10(14)12(9)21(17,18)15-6-7-20-11(8-15)13(16)19-2/h3-5,11H,6-8,14H2,1-2H3
InChIKeyGBMJTIWKWUPDGZ-UHFFFAOYSA-N
XLogP0.14
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-amino-4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 115533508
4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carbonitrile
CID 79675035
methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 171059500
methyl 4-(3,5-dimethylphenyl)sulfonylmorpholine-2-carboxylate
CID 115536259
methyl 4-(3-bromophenyl)sulfonylmorpholine-2-carboxylate
CID 78927097
(3R)-1-(2-amino-6-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212018
1-[4-(2-amino-6-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 43452392
2-(3,4-dimethylpiperazin-1-yl)sulfonyl-3-methylaniline
CID 63604384
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-methylaniline
CID 63971698
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-3-methylaniline
CID 115558739
[1-(2-amino-6-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590106

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate (CID 115533480) is methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate is COC(=O)C1CN(S(=O)(=O)c2c(C)cccc2N)CCO1.
What is the InChIKey of methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate?
The InChIKey is GBMJTIWKWUPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-9-4-3-5-10(14)12(9)21(17,18)15-6-7-20-11(8-15)13(16)19-2/h3-5,11H,6-8,14H2,1-2H3.
What are the key properties of methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate?
methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate has a molecular weight of 314.36 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-6-methylphenyl)sulfonylmorpholine-2-carboxylate is sourced from PubChem (CID 115533480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).