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

C10H17N3O2S — CID 106895805

IUPAC2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCCCS(=O)(=O)CCNCc1cccnn1
InChIInChI=1S/C10H17N3O2S/c1-2-7-16(14,15)8-6-11-9-10-4-3-5-12-13-10/h3-5,11H,2,6-9H2,1H3
InChIKeyCURFKILIQHLECZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.39
Rot. Bonds7

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

2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895805) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895805
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCCCS(=O)(=O)CCNCc1cccnn1
InChIInChI=1S/C10H17N3O2S/c1-2-7-16(14,15)8-6-11-9-10-4-3-5-12-13-10/h3-5,11H,2,6-9H2,1H3
InChIKeyCURFKILIQHLECZ-UHFFFAOYSA-N
XLogP0.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.39
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-ethylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895585
4-[2-(pyridazin-3-ylmethylamino)ethylsulfonyl]benzonitrile
CID 106895920
3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895342
N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723723
4-methoxy-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895756
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-propylsulfonylethanamine
CID 114170835
2-(4-methoxyphenoxy)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895861
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
N-[(4-fluorophenyl)methyl]-2-propylsulfonylethanamine
CID 106723077
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146
1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea
CID 20557856

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895805) is 2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine is CCCS(=O)(=O)CCNCc1cccnn1.
What is the InChIKey of 2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is CURFKILIQHLECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-7-16(14,15)8-6-11-9-10-4-3-5-12-13-10/h3-5,11H,2,6-9H2,1H3.
What are the key properties of 2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine?
2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 243.33 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).