N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide

C10H18N4O2S — CID 113037990

IUPACN-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(C)C)nn1
InChIInChI=1S/C10H18N4O2S/c1-4-7-17(15,16)14-10-6-5-9(12-13-10)11-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyMZJXUBFWQSATFA-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.45
Rot. Bonds6

About N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide

N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide (PubChem CID 113037990) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
PubChem CID113037990
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(C)C)nn1
InChIInChI=1S/C10H18N4O2S/c1-4-7-17(15,16)14-10-6-5-9(12-13-10)11-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyMZJXUBFWQSATFA-UHFFFAOYSA-N
XLogP1.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113037989
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
N-(6-pyrrolidin-1-ylpyridazin-3-yl)propane-1-sulfonamide
CID 113038761
5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113038015
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]ethanesulfonamide
CID 113041241
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
N-[6-(4-fluoro-2-piperidin-1-ylphenyl)pyridazin-3-yl]propane-1-sulfonamide
CID 164621593

Frequently Asked Questions

What is the IUPAC name of N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide?
The IUPAC name of N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide (CID 113037990) is N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NC(C)C)nn1.
What is the InChIKey of N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide?
The InChIKey is MZJXUBFWQSATFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-4-7-17(15,16)14-10-6-5-9(12-13-10)11-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide?
N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of 1.45, 6 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]propane-1-sulfonamide is sourced from PubChem (CID 113037990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).