4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline

C13H20N2O3S — CID 43544294

IUPAC4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
SMILESCC1CN(S(=O)(=O)Cc2ccc(N)cc2)C(C)CO1
InChIInChI=1S/C13H20N2O3S/c1-10-8-18-11(2)7-15(10)19(16,17)9-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9,14H2,1-2H3
InChIKeyYQHIDBXJZUAQFP-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.21
Rot. Bonds3

About 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline

4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline (PubChem CID 43544294) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline.

Molecular Properties

Compound Name4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
PubChem CID43544294
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
SMILESCC1CN(S(=O)(=O)Cc2ccc(N)cc2)C(C)CO1
InChIInChI=1S/C13H20N2O3S/c1-10-8-18-11(2)7-15(10)19(16,17)9-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9,14H2,1-2H3
InChIKeyYQHIDBXJZUAQFP-UHFFFAOYSA-N
XLogP1.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline 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-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonylmethyl]aniline
CID 102882331
3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline
CID 43544290
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096
(2S,5S)-2,5-dimethyl-4-(2-methylpropylsulfonyl)morpholine
CID 100567938
[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79186896
4-[(3-ethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43611643
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43544554

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline?
The IUPAC name of 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline (CID 43544294) is 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline.
What is the SMILES notation for 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline?
The canonical SMILES for 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline is CC1CN(S(=O)(=O)Cc2ccc(N)cc2)C(C)CO1.
What is the InChIKey of 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline?
The InChIKey is YQHIDBXJZUAQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-8-18-11(2)7-15(10)19(16,17)9-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9,14H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline?
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline has a molecular weight of 284.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline is sourced from PubChem (CID 43544294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).