N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide

C12H21N3O3S — CID 114944043

IUPACN-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C12H21N3O3S/c1-5-18-12(2,3)9-15-19(16,17)10-6-7-14-11(8-10)13-4/h6-8,15H,5,9H2,1-4H3,(H,13,14)
InChIKeyIYPGKQRNAPUJAH-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.22
Rot. Bonds7

About N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide

N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 114944043) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide
PubChem CID114944043
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C12H21N3O3S/c1-5-18-12(2,3)9-15-19(16,17)10-6-7-14-11(8-10)13-4/h6-8,15H,5,9H2,1-4H3,(H,13,14)
InChIKeyIYPGKQRNAPUJAH-UHFFFAOYSA-N
XLogP1.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-2-hydrazinylpyridine-4-sulfonamide
CID 114943123
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 114940446
N-[2-[[2-(methylamino)-4-pyridinyl]sulfonylamino]ethyl]acetamide
CID 62145904
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164890
2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-sulfonamide
CID 62840002
N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 114943139
3-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167516
3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62152220
4-chloro-N-(2-ethoxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 114941710

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide (CID 114944043) is N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide is CCOC(C)(C)CNS(=O)(=O)c1ccnc(NC)c1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is IYPGKQRNAPUJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-5-18-12(2,3)9-15-19(16,17)10-6-7-14-11(8-10)13-4/h6-8,15H,5,9H2,1-4H3,(H,13,14).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide?
N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 114944043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).