N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide

C13H23N3O3S — CID 43629075

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)N(CCNS(=O)(=O)c1ccc(=O)[nH]c1)C(C)C
InChIInChI=1S/C13H23N3O3S/c1-10(2)16(11(3)4)8-7-15-20(18,19)12-5-6-13(17)14-9-12/h5-6,9-11,15H,7-8H2,1-4H3,(H,14,17)
InChIKeyHXKBCPZYSLUUQT-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.77
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 43629075) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID43629075
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)N(CCNS(=O)(=O)c1ccc(=O)[nH]c1)C(C)C
InChIInChI=1S/C13H23N3O3S/c1-10(2)16(11(3)4)8-7-15-20(18,19)12-5-6-13(17)14-9-12/h5-6,9-11,15H,7-8H2,1-4H3,(H,14,17)
InChIKeyHXKBCPZYSLUUQT-UHFFFAOYSA-N
XLogP0.77
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide
CID 15599388
N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114248446
6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
CID 115521683
N,N-dimethyl-2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]acetamide
CID 43629293
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114128815
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106421967
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629183
N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54955517
N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61479202
N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 63831451

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 43629075) is N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide is CC(C)N(CCNS(=O)(=O)c1ccc(=O)[nH]c1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is HXKBCPZYSLUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10(2)16(11(3)4)8-7-15-20(18,19)12-5-6-13(17)14-9-12/h5-6,9-11,15H,7-8H2,1-4H3,(H,14,17).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).