2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline

C15H24N2O3S — CID 43576224

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline
SMILESCCC1COC(C)CN1S(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C15H24N2O3S/c1-5-13-9-20-12(4)8-17(13)21(18,19)15-7-11(3)10(2)6-14(15)16/h6-7,12-13H,5,8-9,16H2,1-4H3
InChIKeyCRLUNZGZDUSMCE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.07
Rot. Bonds3

About 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline

2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline (PubChem CID 43576224) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline
PubChem CID43576224
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline
SMILESCCC1COC(C)CN1S(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C15H24N2O3S/c1-5-13-9-20-12(4)8-17(13)21(18,19)15-7-11(3)10(2)6-14(15)16/h6-7,12-13H,5,8-9,16H2,1-4H3
InChIKeyCRLUNZGZDUSMCE-UHFFFAOYSA-N
XLogP2.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 60986467
4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine
CID 60809609
5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-methylimidazol-4-amine
CID 63978903
[5-bromo-3-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61424855
1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine
CID 61424752
4-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-5-ethyl-2-methylmorpholine
CID 102750581
5-(3-ethylmorpholin-4-yl)sulfonyl-4-methoxy-2-methylaniline
CID 79961883
4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine
CID 63666343
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline
CID 43544290
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid
CID 43578522

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline (CID 43576224) is 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline is CCC1COC(C)CN1S(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline?
The InChIKey is CRLUNZGZDUSMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-13-9-20-12(4)8-17(13)21(18,19)15-7-11(3)10(2)6-14(15)16/h6-7,12-13H,5,8-9,16H2,1-4H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline?
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline has a molecular weight of 312.44 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline is sourced from PubChem (CID 43576224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).