2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

C12H18N2O4S — CID 106773806

IUPAC2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESCOc1ccc(S(=O)(=O)N2CCOC[C@H]2C)cc1N
InChIInChI=1S/C12H18N2O4S/c1-9-8-18-6-5-14(9)19(15,16)10-3-4-12(17-2)11(13)7-10/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m1/s1
InChIKeyWYLCJHAKHQFCLY-SECBINFHSA-N
MW286.35 g/mol
LogP0.69
Rot. Bonds3

About 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (PubChem CID 106773806) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.

Molecular Properties

Compound Name2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
PubChem CID106773806
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESCOc1ccc(S(=O)(=O)N2CCOC[C@H]2C)cc1N
InChIInChI=1S/C12H18N2O4S/c1-9-8-18-6-5-14(9)19(15,16)10-3-4-12(17-2)11(13)7-10/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m1/s1
InChIKeyWYLCJHAKHQFCLY-SECBINFHSA-N
XLogP0.69
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-methoxyaniline
CID 115558795
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
2-methyl-4-(3-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 106833027
4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol
CID 43429174
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51939603
5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyaniline
CID 71493050
4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
CID 110292279
(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 106833798
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The IUPAC name of 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (CID 106773806) is 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.
What is the SMILES notation for 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The canonical SMILES for 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is COc1ccc(S(=O)(=O)N2CCOC[C@H]2C)cc1N.
What is the InChIKey of 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The InChIKey is WYLCJHAKHQFCLY-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-8-18-6-5-14(9)19(15,16)10-3-4-12(17-2)11(13)7-10/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline has a molecular weight of 286.35 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is sourced from PubChem (CID 106773806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).