N-(6-propylpyridazin-3-yl)methanesulfonamide

C8H13N3O2S — CID 59156598

IUPACN-(6-propylpyridazin-3-yl)methanesulfonamide
SMILESCCCc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H13N3O2S/c1-3-4-7-5-6-8(10-9-7)11-14(2,12)13/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyCIMGSUBTRRNXEN-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.80
Rot. Bonds4

About N-(6-propylpyridazin-3-yl)methanesulfonamide

N-(6-propylpyridazin-3-yl)methanesulfonamide (PubChem CID 59156598) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(6-propylpyridazin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-propylpyridazin-3-yl)methanesulfonamide
PubChem CID59156598
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(6-propylpyridazin-3-yl)methanesulfonamide
SMILESCCCc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H13N3O2S/c1-3-4-7-5-6-8(10-9-7)11-14(2,12)13/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyCIMGSUBTRRNXEN-UHFFFAOYSA-N
XLogP0.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-propylpyridazin-3-yl)methanesulfonamide?
The IUPAC name of N-(6-propylpyridazin-3-yl)methanesulfonamide (CID 59156598) is N-(6-propylpyridazin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(6-propylpyridazin-3-yl)methanesulfonamide?
The canonical SMILES for N-(6-propylpyridazin-3-yl)methanesulfonamide is CCCc1ccc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-(6-propylpyridazin-3-yl)methanesulfonamide?
The InChIKey is CIMGSUBTRRNXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-4-7-5-6-8(10-9-7)11-14(2,12)13/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-(6-propylpyridazin-3-yl)methanesulfonamide?
N-(6-propylpyridazin-3-yl)methanesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propylpyridazin-3-yl)methanesulfonamide is sourced from PubChem (CID 59156598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).