2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide

C16H27N2O4S+ — CID 7242123

IUPAC2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C16H26N2O4S/c1-13(2)14-4-5-15(21-3)16(12-14)23(19,20)17-6-7-18-8-10-22-11-9-18/h4-5,12-13,17H,6-11H2,1-3H3/p+1
InChIKeySSEHNFZWUTWWOG-UHFFFAOYSA-O
MW343.47 g/mol
LogP0.01
Rot. Bonds7

About 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide

2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 7242123) has the molecular formula C16H27N2O4S+ and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
PubChem CID7242123
Molecular FormulaC16H27N2O4S+
Molecular Weight343.47 g/mol
Exact Mass343.17
IUPAC Name2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C16H26N2O4S/c1-13(2)14-4-5-15(21-3)16(12-14)23(19,20)17-6-7-18-8-10-22-11-9-18/h4-5,12-13,17H,6-11H2,1-3H3/p+1
InChIKeySSEHNFZWUTWWOG-UHFFFAOYSA-O
XLogP0.01
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide 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

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
2,4,5-trimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 7381126
2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 7850818
2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 30126330
2-methoxy-5-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845179
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
CID 113100388
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 9125339
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide (CID 7242123) is 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)NCC[NH+]1CCOCC1.
What is the InChIKey of 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is SSEHNFZWUTWWOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H26N2O4S/c1-13(2)14-4-5-15(21-3)16(12-14)23(19,20)17-6-7-18-8-10-22-11-9-18/h4-5,12-13,17H,6-11H2,1-3H3/p+1.
What are the key properties of 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide?
2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 343.47 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 7242123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).