4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline

C12H18N2O4S — CID 43541753

IUPAC4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
SMILESCOc1ccc(N)cc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C12H18N2O4S/c1-9-8-18-6-5-14(9)19(15,16)12-7-10(13)3-4-11(12)17-2/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyZBNMNGCBUKZFPC-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.69
Rot. Bonds3

About 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline

4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline (PubChem CID 43541753) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound Name4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
PubChem CID43541753
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
SMILESCOc1ccc(N)cc1S(=O)(=O)N1CCOCC1C
InChIInChI=1S/C12H18N2O4S/c1-9-8-18-6-5-14(9)19(15,16)12-7-10(13)3-4-11(12)17-2/h3-4,7,9H,5-6,8,13H2,1-2H3
InChIKeyZBNMNGCBUKZFPC-UHFFFAOYSA-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'}

Analyze 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
methyl 4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoate
CID 106773732
2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773806
4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773819
3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111095
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367
3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773824
(3S,4R)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213240
3-(4-cyclopropylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 61140630

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline (CID 43541753) is 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline is COc1ccc(N)cc1S(=O)(=O)N1CCOCC1C.
What is the InChIKey of 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline?
The InChIKey is ZBNMNGCBUKZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-8-18-6-5-14(9)19(15,16)12-7-10(13)3-4-11(12)17-2/h3-4,7,9H,5-6,8,13H2,1-2H3.
What are the key properties of 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline?
4-methoxy-3-(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 4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 43541753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).