4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline

C11H15ClN2O2S2 — CID 113315817

IUPAC4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
SMILESCS(=O)(=O)C1CSCCN1c1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O2S2/c1-18(15,16)11-7-17-5-4-14(11)10-6-8(12)2-3-9(10)13/h2-3,6,11H,4-5,7,13H2,1H3
InChIKeyUMBBZYLHECLUQJ-UHFFFAOYSA-N
MW306.84 g/mol
LogP1.85
Rot. Bonds2

About 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline

4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline (PubChem CID 113315817) has the molecular formula C11H15ClN2O2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
PubChem CID113315817
Molecular FormulaC11H15ClN2O2S2
Molecular Weight306.84 g/mol
Exact Mass306.03
IUPAC Name4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
SMILESCS(=O)(=O)C1CSCCN1c1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O2S2/c1-18(15,16)11-7-17-5-4-14(11)10-6-8(12)2-3-9(10)13/h2-3,6,11H,4-5,7,13H2,1H3
InChIKeyUMBBZYLHECLUQJ-UHFFFAOYSA-N
XLogP1.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)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

1-[4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861896
4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)benzenecarboximidamide
CID 66383560
5-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)benzonitrile
CID 66382873
5-methylsulfonyl-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 66383352
4-amino-2-(3-methylsulfonylthiomorpholin-4-yl)benzoic acid
CID 66382315
5-amino-2-(3-methylsulfonylthiomorpholin-4-yl)benzonitrile
CID 66382393
[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66372294
3-(3-methylsulfonylthiomorpholin-4-yl)-2-nitroaniline
CID 80850470
4-(2-chloro-4-pyridinyl)-3-methylsulfonylthiomorpholine
CID 102824290
4-chloro-2-(3-ethylsulfonylthiomorpholin-4-yl)benzonitrile
CID 66376592
1-[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66382401
5-amino-3-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)benzamide
CID 107196208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline?
The IUPAC name of 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline (CID 113315817) is 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline.
What is the SMILES notation for 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline?
The canonical SMILES for 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline is CS(=O)(=O)C1CSCCN1c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline?
The InChIKey is UMBBZYLHECLUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S2/c1-18(15,16)11-7-17-5-4-14(11)10-6-8(12)2-3-9(10)13/h2-3,6,11H,4-5,7,13H2,1H3.
What are the key properties of 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline?
4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline has a molecular weight of 306.84 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline is sourced from PubChem (CID 113315817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).