3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline

C14H22N2O2S2 — CID 66384075

IUPAC3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline
SMILESCCS(=O)(=O)C1CSCCN1Cc1cccc(N)c1C
InChIInChI=1S/C14H22N2O2S2/c1-3-20(17,18)14-10-19-8-7-16(14)9-12-5-4-6-13(15)11(12)2/h4-6,14H,3,7-10,15H2,1-2H3
InChIKeyOUKNRLWIGGYWMD-UHFFFAOYSA-N
MW314.48 g/mol
LogP1.89
Rot. Bonds4

About 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline

3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline (PubChem CID 66384075) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline
PubChem CID66384075
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline
SMILESCCS(=O)(=O)C1CSCCN1Cc1cccc(N)c1C
InChIInChI=1S/C14H22N2O2S2/c1-3-20(17,18)14-10-19-8-7-16(14)9-12-5-4-6-13(15)11(12)2/h4-6,14H,3,7-10,15H2,1-2H3
InChIKeyOUKNRLWIGGYWMD-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline 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

2-(3-ethylsulfonylthiomorpholin-4-yl)aniline
CID 66383708
[2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 66382144
2-[4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]phenyl]ethanamine
CID 66377959
4-[(4-bromophenyl)methyl]-3-ethylsulfonylthiomorpholine
CID 66378295
1-(3-ethylsulfonylthiomorpholin-4-yl)-3-phenylpropan-2-one
CID 66378285
N-[[2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 66384379
2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)sulfonylaniline
CID 66382764
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylsulfonylthiomorpholine
CID 66378294
4-[(2-fluoro-3-nitrophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 107348358
5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 66375956
1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
CID 66382331
1-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]cyclohexan-1-amine
CID 66377381

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline?
The IUPAC name of 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline (CID 66384075) is 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline.
What is the SMILES notation for 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline?
The canonical SMILES for 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline is CCS(=O)(=O)C1CSCCN1Cc1cccc(N)c1C.
What is the InChIKey of 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline?
The InChIKey is OUKNRLWIGGYWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-3-20(17,18)14-10-19-8-7-16(14)9-12-5-4-6-13(15)11(12)2/h4-6,14H,3,7-10,15H2,1-2H3.
What are the key properties of 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline?
3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline has a molecular weight of 314.48 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylaniline is sourced from PubChem (CID 66384075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).