2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine

C9H15N3O2S — CID 106895585

IUPAC2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCCS(=O)(=O)CCNCc1cccnn1
InChIInChI=1S/C9H15N3O2S/c1-2-15(13,14)7-6-10-8-9-4-3-5-11-12-9/h3-5,10H,2,6-8H2,1H3
InChIKeyZTUXFGDIRMHGLN-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.00
Rot. Bonds6

About 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine

2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895585) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895585
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCCS(=O)(=O)CCNCc1cccnn1
InChIInChI=1S/C9H15N3O2S/c1-2-15(13,14)7-6-10-8-9-4-3-5-11-12-9/h3-5,10H,2,6-8H2,1H3
InChIKeyZTUXFGDIRMHGLN-UHFFFAOYSA-N
XLogP0.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895805
4-[2-(pyridazin-3-ylmethylamino)ethylsulfonyl]benzonitrile
CID 106895920
4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895756
2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895861
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea
CID 20557856
5-(pyridazin-3-ylmethylamino)pentanoic acid
CID 106896706
3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895342
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
2-chloro-N-(pyridazin-3-ylmethyl)ethanesulfonamide
CID 107652634
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895919

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895585) is 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine is CCS(=O)(=O)CCNCc1cccnn1.
What is the InChIKey of 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is ZTUXFGDIRMHGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-15(13,14)7-6-10-8-9-4-3-5-11-12-9/h3-5,10H,2,6-8H2,1H3.
What are the key properties of 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine?
2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 229.30 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).