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

C13H23N3O3S — CID 64605132

IUPACN-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccncc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C13H23N3O3S/c1-4-7-15-12-5-8-14-10-13(12)20(17,18)16-11(2)6-9-19-3/h5,8,10-11,16H,4,6-7,9H2,1-3H3,(H,14,15)
InChIKeyGCZNFELUGSNWOO-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.61
Rot. Bonds9

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

N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide (PubChem CID 64605132) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide
PubChem CID64605132
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccncc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C13H23N3O3S/c1-4-7-15-12-5-8-14-10-13(12)20(17,18)16-11(2)6-9-19-3/h5,8,10-11,16H,4,6-7,9H2,1-3H3,(H,14,15)
InChIKeyGCZNFELUGSNWOO-UHFFFAOYSA-N
XLogP1.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide
CID 64605130
N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide
CID 115327205
N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide
CID 64603296
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089
N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 64603458
4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652558
N,N-bis(2-methoxyethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237784
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 106067499
5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602405
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-(ethylamino)-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605539
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide (CID 64605132) is N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide is CCCNc1ccncc1S(=O)(=O)NC(C)CCOC.
What is the InChIKey of N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide?
The InChIKey is GCZNFELUGSNWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-4-7-15-12-5-8-14-10-13(12)20(17,18)16-11(2)6-9-19-3/h5,8,10-11,16H,4,6-7,9H2,1-3H3,(H,14,15).
What are the key properties of N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide?
N-(4-methoxybutan-2-yl)-4-(propylamino)pyridine-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.61, 9 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-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64605132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).