2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide

C9H16N4O2S — CID 116787333

IUPAC2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1cccnn1
InChIInChI=1S/C9H16N4O2S/c1-8(2)10-6-7-16(14,15)13-9-4-3-5-11-12-9/h3-5,8,10H,6-7H2,1-2H3,(H,12,13)
InChIKeyAAZZGEOGQNLJKN-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.22
Rot. Bonds6

About 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide

2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide (PubChem CID 116787333) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide
PubChem CID116787333
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)Nc1cccnn1
InChIInChI=1S/C9H16N4O2S/c1-8(2)10-6-7-16(14,15)13-9-4-3-5-11-12-9/h3-5,8,10H,6-7H2,1-2H3,(H,12,13)
InChIKeyAAZZGEOGQNLJKN-UHFFFAOYSA-N
XLogP0.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide
CID 57584469
N-pyridazin-3-ylmethanesulfonamide
CID 58905431
1-(6-aminopyridazin-4-yl)-N,N-dimethylmethanesulfonamide
CID 118504316
N-pyridazin-3-ylbuta-1,3-diene-2-sulfonamide
CID 163910751
Methanesulfonic acid;pyridazin-3-amine
CID 174747797
Ethanesulfonamide;4-methylpyridazin-3-amine
CID 174929350
N,N-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propane-1-sulfonamide
CID 53613021
N-(2-methylsulfonylethyl)pyridazin-3-amine
CID 62482235
3-(Pyridazin-3-ylamino)propane-1-sulfonamide
CID 62483676
2-(Pyridazin-3-ylamino)ethanesulfonamide
CID 62483863
N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide
CID 62483865
N-(3-methylsulfonylpropyl)pyridazin-3-amine
CID 62484074

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide?
The IUPAC name of 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide (CID 116787333) is 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide is CC(C)NCCS(=O)(=O)Nc1cccnn1.
What is the InChIKey of 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide?
The InChIKey is AAZZGEOGQNLJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-8(2)10-6-7-16(14,15)13-9-4-3-5-11-12-9/h3-5,8,10H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide?
2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide is sourced from PubChem (CID 116787333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).