3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

C15H22N2O4S — CID 24980433

IUPAC3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C15H22N2O4S/c1-12-3-4-14(11-13(12)2)22(19,20)16-6-5-15(18)17-7-9-21-10-8-17/h3-4,11,16H,5-10H2,1-2H3
InChIKeyOSCHEQPQRUODTK-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.83
Rot. Bonds5

About 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (PubChem CID 24980433) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
PubChem CID24980433
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1C
InChIInChI=1S/C15H22N2O4S/c1-12-3-4-14(11-13(12)2)22(19,20)16-6-5-15(18)17-7-9-21-10-8-17/h3-4,11,16H,5-10H2,1-2H3
InChIKeyOSCHEQPQRUODTK-UHFFFAOYSA-N
XLogP0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 3466822
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 2242336
N-[3-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 49071768
N-[3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 56512576
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110287214
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
CID 4798669
methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
CID 46284104
N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 47372172
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (CID 24980433) is 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The InChIKey is OSCHEQPQRUODTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-3-4-14(11-13(12)2)22(19,20)16-6-5-15(18)17-7-9-21-10-8-17/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 24980433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).