N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide

C8H13N3O2S — CID 153291166

IUPACN-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide
SMILESCC(C)c1cc(NS(C)(=O)=O)cnn1
InChIInChI=1S/C8H13N3O2S/c1-6(2)8-4-7(5-9-10-8)11-14(3,12)13/h4-6H,1-3H3,(H,10,11)
InChIKeyYLSYHXFKUDGCPQ-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.97
Rot. Bonds3

About N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide

N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide (PubChem CID 153291166) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide
PubChem CID153291166
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide
SMILESCC(C)c1cc(NS(C)(=O)=O)cnn1
InChIInChI=1S/C8H13N3O2S/c1-6(2)8-4-7(5-9-10-8)11-14(3,12)13/h4-6H,1-3H3,(H,10,11)
InChIKeyYLSYHXFKUDGCPQ-UHFFFAOYSA-N
XLogP0.97
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methylpyridazin-4-amine hydrochloride
CID 117100405
6-Methylpyridazin-4-amine
CID 55281170
N-[(pyridazin-3-yl)methyl]methanesulfonamide
CID 68971993
N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide
CID 90997859
6-Ethylpyridazin-4-amine
CID 117127114
6-Propylpyridazin-4-amine
CID 117127115
6-(2-Methylpropyl)pyridazin-4-amine
CID 117127116
6-Tert-butylpyridazin-4-amine
CID 117127127
6-Cyclopropylpyridazin-4-amine
CID 117127176
3-Propan-2-ylpyridazin-4-amine
CID 126670512
3-Butan-2-ylpyridazin-4-amine
CID 134560652
1-(4-Aminopyridazin-3-yl)ethanethiol
CID 134574940

Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide?
The IUPAC name of N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide (CID 153291166) is N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide?
The canonical SMILES for N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide is CC(C)c1cc(NS(C)(=O)=O)cnn1.
What is the InChIKey of N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide?
The InChIKey is YLSYHXFKUDGCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6(2)8-4-7(5-9-10-8)11-14(3,12)13/h4-6H,1-3H3,(H,10,11).
What are the key properties of N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide?
N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-ylpyridazin-4-yl)methanesulfonamide is sourced from PubChem (CID 153291166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).