N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide

C10H18N4O2S — CID 62483865

IUPACN-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNc1cccnn1)S(C)(=O)=O
InChIInChI=1S/C10H18N4O2S/c1-3-14(17(2,15)16)9-5-7-11-10-6-4-8-12-13-10/h4,6,8H,3,5,7,9H2,1-2H3,(H,11,13)
InChIKeyQXBNWEJGCMSGTJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.56
Rot. Bonds7

About N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide (PubChem CID 62483865) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide
PubChem CID62483865
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide
SMILESCCN(CCCNc1cccnn1)S(C)(=O)=O
InChIInChI=1S/C10H18N4O2S/c1-3-14(17(2,15)16)9-5-7-11-10-6-4-8-12-13-10/h4,6,8H,3,5,7,9H2,1-2H3,(H,11,13)
InChIKeyQXBNWEJGCMSGTJ-UHFFFAOYSA-N
XLogP0.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.56
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide (CID 62483865) is N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide is CCN(CCCNc1cccnn1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide?
The InChIKey is QXBNWEJGCMSGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-14(17(2,15)16)9-5-7-11-10-6-4-8-12-13-10/h4,6,8H,3,5,7,9H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(pyridazin-3-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 62483865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).