4-thiomorpholin-4-ylbenzenesulfonamide

C10H14N2O2S2 — CID 146142612

IUPAC4-thiomorpholin-4-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCSCC2)cc1
InChIInChI=1S/C10H14N2O2S2/c11-16(13,14)10-3-1-9(2-4-10)12-5-7-15-8-6-12/h1-4H,5-8H2,(H2,11,13,14)
InChIKeyZAVFQSIDTJOAIP-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.89
Rot. Bonds2

About 4-thiomorpholin-4-ylbenzenesulfonamide

4-thiomorpholin-4-ylbenzenesulfonamide (PubChem CID 146142612) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-thiomorpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-thiomorpholin-4-ylbenzenesulfonamide
PubChem CID146142612
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name4-thiomorpholin-4-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCSCC2)cc1
InChIInChI=1S/C10H14N2O2S2/c11-16(13,14)10-3-1-9(2-4-10)12-5-7-15-8-6-12/h1-4H,5-8H2,(H2,11,13,14)
InChIKeyZAVFQSIDTJOAIP-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
CID 120847656
3-amino-5-(1,4-thiazepan-4-yl)benzenesulfonamide
CID 61419235
ethene;4-thiomorpholin-4-ylaniline
CID 156804699
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843903
3-(4-pyrrolidin-1-ylphenyl)sulfonylbenzenesulfonamide
CID 91221718
4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide
CID 171996749
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
4-[4-(azepan-1-ylmethyl)piperidin-1-yl]benzenesulfonamide
CID 146142611
4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 146138395
6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053018

Frequently Asked Questions

What is the IUPAC name of 4-thiomorpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-thiomorpholin-4-ylbenzenesulfonamide (CID 146142612) is 4-thiomorpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-thiomorpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-thiomorpholin-4-ylbenzenesulfonamide is NS(=O)(=O)c1ccc(N2CCSCC2)cc1.
What is the InChIKey of 4-thiomorpholin-4-ylbenzenesulfonamide?
The InChIKey is ZAVFQSIDTJOAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c11-16(13,14)10-3-1-9(2-4-10)12-5-7-15-8-6-12/h1-4H,5-8H2,(H2,11,13,14).
What are the key properties of 4-thiomorpholin-4-ylbenzenesulfonamide?
4-thiomorpholin-4-ylbenzenesulfonamide has a molecular weight of 258.37 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiomorpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 146142612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).