2-thiomorpholin-4-ylsulfonylaniline

C10H14N2O2S2 — CID 28786580

IUPAC2-thiomorpholin-4-ylsulfonylaniline
SMILESNc1ccccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H14N2O2S2/c11-9-3-1-2-4-10(9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2
InChIKeyQPAUJRMTHOLPCD-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.01
Rot. Bonds2

About 2-thiomorpholin-4-ylsulfonylaniline

2-thiomorpholin-4-ylsulfonylaniline (PubChem CID 28786580) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-thiomorpholin-4-ylsulfonylaniline
PubChem CID28786580
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name2-thiomorpholin-4-ylsulfonylaniline
SMILESNc1ccccc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C10H14N2O2S2/c11-9-3-1-2-4-10(9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2
InChIKeyQPAUJRMTHOLPCD-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.01
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-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63156931
1-(2-aminophenyl)sulfonylazepan-4-amine
CID 89315995
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
CID 129451972
4-(2-phenylphenyl)sulfonyl-1,4-thiazepane
CID 51116230
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylaniline
CID 61114608
2-(4-cyclobutyloxypiperidin-1-yl)sulfonylaniline
CID 146133864
2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide
CID 61139917
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830
4-amino-2-thiomorpholin-4-ylsulfonylbenzoic acid
CID 102930859
2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine
CID 47331572
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylsulfonyl)aniline
CID 61218757

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylsulfonylaniline?
The IUPAC name of 2-thiomorpholin-4-ylsulfonylaniline (CID 28786580) is 2-thiomorpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-thiomorpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-thiomorpholin-4-ylsulfonylaniline is Nc1ccccc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylsulfonylaniline?
The InChIKey is QPAUJRMTHOLPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c11-9-3-1-2-4-10(9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2.
What are the key properties of 2-thiomorpholin-4-ylsulfonylaniline?
2-thiomorpholin-4-ylsulfonylaniline has a molecular weight of 258.37 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylsulfonylaniline is sourced from PubChem (CID 28786580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).