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

C13H20N2O3S — CID 43592435

IUPAC4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
SMILESCC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)CCO1
InChIInChI=1S/C13H20N2O3S/c1-13(2)10-15(7-8-18-13)19(16,17)9-11-3-5-12(14)6-4-11/h3-6H,7-10,14H2,1-2H3
InChIKeyYBHZYTZYAMDATH-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.21
Rot. Bonds3

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

4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline (PubChem CID 43592435) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline.

Molecular Properties

Compound Name4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
PubChem CID43592435
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
SMILESCC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)CCO1
InChIInChI=1S/C13H20N2O3S/c1-13(2)10-15(7-8-18-13)19(16,17)9-11-3-5-12(14)6-4-11/h3-6H,7-10,14H2,1-2H3
InChIKeyYBHZYTZYAMDATH-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-[(2,2-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-(1,4-oxazepan-4-ylsulfonylmethyl)aniline
CID 62987423
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-ethoxyaniline
CID 43663015
4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 115341786
4-amino-2-(2,2-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 102931001
4-[4-(2-chloroethyl)phenyl]sulfonyl-2,2-dimethylmorpholine
CID 43662638
4-(3,6-dihydro-2H-pyridin-1-ylsulfonylmethyl)aniline
CID 114407534
1-[(4-aminophenyl)methylsulfonyl]-3-cyclopropylazetidin-3-ol
CID 107212621
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-nitroaniline
CID 62147726
4-[(3-ethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43611643
1-[4-[(4-methylphenyl)methylsulfonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]prop-2-en-1-one
CID 172887780
1-[(4-nitrophenyl)methylsulfonyl]pyrrolidine;4-(pyrrolidin-1-ylsulfonylmethyl)aniline
CID 161215588
[1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol
CID 43133135

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline?
The IUPAC name of 4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline (CID 43592435) is 4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline.
What is the SMILES notation for 4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline?
The canonical SMILES for 4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline is CC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)CCO1.
What is the InChIKey of 4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline?
The InChIKey is YBHZYTZYAMDATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2)10-15(7-8-18-13)19(16,17)9-11-3-5-12(14)6-4-11/h3-6H,7-10,14H2,1-2H3.
What are the key properties of 4-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline?
4-[(2,2-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-[(2,2-dimethylmorpholin-4-yl)sulfonylmethyl]aniline is sourced from PubChem (CID 43592435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).