N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide

C11H19N3O3S — CID 81062766

IUPACN-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cnccc1NC
InChIInChI=1S/C11H19N3O3S/c1-4-17-8-7-14(3)18(15,16)11-9-13-6-5-10(11)12-2/h5-6,9H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyDDLSSOZQQHQYCX-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.78
Rot. Bonds7

About N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide

N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 81062766) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide
PubChem CID81062766
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cnccc1NC
InChIInChI=1S/C11H19N3O3S/c1-4-17-8-7-14(3)18(15,16)11-9-13-6-5-10(11)12-2/h5-6,9H,4,7-8H2,1-3H3,(H,12,13)
InChIKeyDDLSSOZQQHQYCX-UHFFFAOYSA-N
XLogP0.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide
CID 82960227
N-(2-ethoxyethyl)-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 81068198
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide
CID 79310769
N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide
CID 107401260
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64520844
5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide
CID 81062093
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
2-(aminomethyl)-N-(2-ethoxyethyl)-N-methylthiophene-3-sulfonamide
CID 81068553
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide (CID 81062766) is N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide is CCOCCN(C)S(=O)(=O)c1cnccc1NC.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is DDLSSOZQQHQYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-4-17-8-7-14(3)18(15,16)11-9-13-6-5-10(11)12-2/h5-6,9H,4,7-8H2,1-3H3,(H,12,13).
What are the key properties of N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide?
N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 81062766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).