2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide

C15H25N2O3S+ — CID 7381126

IUPAC2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC[NH+]2CCOCC2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-12-10-14(3)15(11-13(12)2)21(18,19)16-4-5-17-6-8-20-9-7-17/h10-11,16H,4-9H2,1-3H3/p+1
InChIKeyUJIHRNKXCWJAMW-UHFFFAOYSA-O
MW313.44 g/mol
LogP-0.19
Rot. Bonds5

About 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide

2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide (PubChem CID 7381126) has the molecular formula C15H25N2O3S+ and a molecular weight of 313.44 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
PubChem CID7381126
Molecular FormulaC15H25N2O3S+
Molecular Weight313.44 g/mol
Exact Mass313.16
IUPAC Name2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC[NH+]2CCOCC2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-12-10-14(3)15(11-13(12)2)21(18,19)16-4-5-17-6-8-20-9-7-17/h10-11,16H,4-9H2,1-3H3/p+1
InChIKeyUJIHRNKXCWJAMW-UHFFFAOYSA-O
XLogP-0.19
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 6978351
2,5-dichloro-4-methoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 6971852
2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 7850818
2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
CID 7242123
4-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzenesulfonamide
CID 7808723
2-chloro-5-(2-morpholin-4-ium-4-ylethylsulfamoyl)benzoate
CID 2348902
N-(2-morpholin-4-ium-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 4560728
2-bromo-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 8716697
4-bromo-2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 8025065
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
5-bromo-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8843314

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide (CID 7381126) is 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCOCC2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
The InChIKey is UJIHRNKXCWJAMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2O3S/c1-12-10-14(3)15(11-13(12)2)21(18,19)16-4-5-17-6-8-20-9-7-17/h10-11,16H,4-9H2,1-3H3/p+1.
What are the key properties of 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide has a molecular weight of 313.44 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 7381126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).