N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide

C11H19N3O3S — CID 64605130

IUPACN-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C11H19N3O3S/c1-9(5-7-17-3)14-18(15,16)11-8-13-6-4-10(11)12-2/h4,6,8-9,14H,5,7H2,1-3H3,(H,12,13)
InChIKeyVEZPAVIFCHALFM-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.83
Rot. Bonds7

About N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide

N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 64605130) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide
PubChem CID64605130
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C11H19N3O3S/c1-9(5-7-17-3)14-18(15,16)11-8-13-6-4-10(11)12-2/h4,6,8-9,14H,5,7H2,1-3H3,(H,12,13)
InChIKeyVEZPAVIFCHALFM-UHFFFAOYSA-N
XLogP0.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide
CID 64605132
N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide
CID 64603296
N-(2-methoxyethyl)-4-(methylamino)-N-propan-2-ylpyridine-3-sulfonamide
CID 82960227
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64582352
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493
6-amino-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 64602408
3-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-2-sulfonamide
CID 103301657
2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
CID 62734262
2-(ethylamino)-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605539
3,4-difluoro-5-(4-methoxybutan-2-ylsulfamoyl)benzoic acid
CID 104654581

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide (CID 64605130) is N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide is CNc1ccncc1S(=O)(=O)NC(C)CCOC.
What is the InChIKey of N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is VEZPAVIFCHALFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9(5-7-17-3)14-18(15,16)11-8-13-6-4-10(11)12-2/h4,6,8-9,14H,5,7H2,1-3H3,(H,12,13).
What are the key properties of N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide?
N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64605130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).