2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

C18H31N2O3S+ — CID 7450668

IUPAC2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1
InChIInChI=1S/C18H30N2O3S/c1-7-23-15-9-8-13(2)10-16(15)24(21,22)19-14-11-17(3,4)20-18(5,6)12-14/h8-10,14,19-20H,7,11-12H2,1-6H3/p+1
InChIKeyDPGFCQWKUUMKLH-UHFFFAOYSA-O
MW355.52 g/mol
LogP1.96
Rot. Bonds5

About 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide (PubChem CID 7450668) has the molecular formula C18H31N2O3S+ and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
PubChem CID7450668
Molecular FormulaC18H31N2O3S+
Molecular Weight355.52 g/mol
Exact Mass355.20
IUPAC Name2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1
InChIInChI=1S/C18H30N2O3S/c1-7-23-15-9-8-13(2)10-16(15)24(21,22)19-14-11-17(3,4)20-18(5,6)12-14/h8-10,14,19-20H,7,11-12H2,1-6H3/p+1
InChIKeyDPGFCQWKUUMKLH-UHFFFAOYSA-O
XLogP1.96
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tamsulosin
CID 129211
Tamsulosin Hydrochloride
CID 5362376
5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide
CID 121829
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 580300
2-methoxy-5-[(2R)-2-[2-(2-propan-2-yloxyphenoxy)ethylamino]propyl]benzenesulfonamide
CID 50905381
2-methoxy-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850002
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
MicroRNA modulator-1
CID 5967303
Benzenesulfonamide, 5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxy-, hydrochloride (1:1)
CID 6917671
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
CID 850126
2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 967887

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The IUPAC name of 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide (CID 7450668) is 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1.
What is the InChIKey of 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The InChIKey is DPGFCQWKUUMKLH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H30N2O3S/c1-7-23-15-9-8-13(2)10-16(15)24(21,22)19-14-11-17(3,4)20-18(5,6)12-14/h8-10,14,19-20H,7,11-12H2,1-6H3/p+1.
What are the key properties of 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide has a molecular weight of 355.52 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide is sourced from PubChem (CID 7450668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).