N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide

C9H16N4O2S — CID 113037989

IUPACN-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC(C)C)nn1
InChIInChI=1S/C9H16N4O2S/c1-4-16(14,15)13-9-6-5-8(11-12-9)10-7(2)3/h5-7H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyRGDSCVLQABSSHN-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.06
Rot. Bonds5

About N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide

N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide (PubChem CID 113037989) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide
PubChem CID113037989
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC(C)C)nn1
InChIInChI=1S/C9H16N4O2S/c1-4-16(14,15)13-9-6-5-8(11-12-9)10-7(2)3/h5-7H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyRGDSCVLQABSSHN-UHFFFAOYSA-N
XLogP1.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
CID 113037990
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113038015
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049321
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]ethanesulfonamide
CID 113041241
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038004
N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787
N-[6-(butan-2-ylamino)pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113038643

Frequently Asked Questions

What is the IUPAC name of N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide?
The IUPAC name of N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide (CID 113037989) is N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NC(C)C)nn1.
What is the InChIKey of N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide?
The InChIKey is RGDSCVLQABSSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-4-16(14,15)13-9-6-5-8(11-12-9)10-7(2)3/h5-7H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide?
N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide is sourced from PubChem (CID 113037989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).