N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide

C11H19N3O3S — CID 55043958

IUPACN-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cccnc1NC
InChIInChI=1S/C11H19N3O3S/c1-3-17-9-5-8-14-18(15,16)10-6-4-7-13-11(10)12-2/h4,6-7,14H,3,5,8-9H2,1-2H3,(H,12,13)
InChIKeyUQDCHCOSESPTQP-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.83
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide

N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 55043958) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID55043958
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cccnc1NC
InChIInChI=1S/C11H19N3O3S/c1-3-17-9-5-8-14-18(15,16)10-6-4-7-13-11(10)12-2/h4,6-7,14H,3,5,8-9H2,1-2H3,(H,12,13)
InChIKeyUQDCHCOSESPTQP-UHFFFAOYSA-N
XLogP0.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144389
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
2-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79356890
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
CID 61250348
N-[3-(diethylamino)propyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62143133
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 62164717

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide (CID 55043958) is N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide is CCOCCCNS(=O)(=O)c1cccnc1NC.
What is the InChIKey of N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is UQDCHCOSESPTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-17-9-5-8-14-18(15,16)10-6-4-7-13-11(10)12-2/h4,6-7,14H,3,5,8-9H2,1-2H3,(H,12,13).
What are the key properties of N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide?
N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 55043958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).