2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

C9H14N4O3S — CID 106081745

IUPAC2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCNC2CC2)n[nH]1
InChIInChI=1S/C9H14N4O3S/c14-9-4-3-8(11-12-9)13-17(15,16)6-5-10-7-1-2-7/h3-4,7,10H,1-2,5-6H2,(H,11,13)(H,12,14)
InChIKeyYMQWCNZSYCUUJR-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.74
Rot. Bonds6

About 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (PubChem CID 106081745) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
PubChem CID106081745
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCNC2CC2)n[nH]1
InChIInChI=1S/C9H14N4O3S/c14-9-4-3-8(11-12-9)13-17(15,16)6-5-10-7-1-2-7/h3-4,7,10H,1-2,5-6H2,(H,11,13)(H,12,14)
InChIKeyYMQWCNZSYCUUJR-UHFFFAOYSA-N
XLogP-0.74
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (CID 106081745) is 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is O=c1ccc(NS(=O)(=O)CCNC2CC2)n[nH]1.
What is the InChIKey of 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The InChIKey is YMQWCNZSYCUUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c14-9-4-3-8(11-12-9)13-17(15,16)6-5-10-7-1-2-7/h3-4,7,10H,1-2,5-6H2,(H,11,13)(H,12,14).
What are the key properties of 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide has a molecular weight of 258.30 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is sourced from PubChem (CID 106081745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).