N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide

C9H16N4O2S — CID 63860050

IUPACN-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cccnn1)NS(C)(=O)=O
InChIInChI=1S/C9H16N4O2S/c1-9(2,13-16(3,14)15)7-10-8-5-4-6-11-12-8/h4-6,13H,7H2,1-3H3,(H,10,12)
InChIKeyZMJFPZXTIMMJQO-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.22
Rot. Bonds5

About N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide (PubChem CID 63860050) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide
PubChem CID63860050
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cccnn1)NS(C)(=O)=O
InChIInChI=1S/C9H16N4O2S/c1-9(2,13-16(3,14)15)7-10-8-5-4-6-11-12-8/h4-6,13H,7H2,1-3H3,(H,10,12)
InChIKeyZMJFPZXTIMMJQO-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine
CID 79561473
N-(2,2-dimethylbutyl)pyridazin-3-amine
CID 103462378
N-[2-methyl-1-[(3-methylsulfonyl-2-pyridinyl)amino]propan-2-yl]methanesulfonamide
CID 114598887
N-[1-[(6-aminopyrazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 78953806
N-[1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859356
N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 55257706
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133296185
N,N-dimethyl-2-(pyridazin-3-ylamino)acetamide
CID 62482830
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
N-[2-methyl-1-(2-nitroanilino)propan-2-yl]methanesulfonamide
CID 63858648
N-pyridazin-3-ylpyridazin-3-amine
CID 90728152
methyl 3-(pyridazin-3-ylamino)propanoate
CID 62482435

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide (CID 63860050) is N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide is CC(C)(CNc1cccnn1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide?
The InChIKey is ZMJFPZXTIMMJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-9(2,13-16(3,14)15)7-10-8-5-4-6-11-12-8/h4-6,13H,7H2,1-3H3,(H,10,12).
What are the key properties of N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(pyridazin-3-ylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).