N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide

C11H17N3O3S — CID 122278193

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C11H17N3O3S/c1-2-18(16,17)12-7-8-14-11(15)6-5-10(13-14)9-3-4-9/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyKIQHQQXBBDMNSD-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.06
Rot. Bonds6

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide (PubChem CID 122278193) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide
PubChem CID122278193
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C11H17N3O3S/c1-2-18(16,17)12-7-8-14-11(15)6-5-10(13-14)9-3-4-9/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyKIQHQQXBBDMNSD-UHFFFAOYSA-N
XLogP0.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-difluorobenzenesulfonamide
CID 122278279
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-phenylbenzenesulfonamide
CID 122278224
2,4,5-trichloro-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 122278260
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122278208
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122278241
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122278206
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122278289
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122277924
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
CID 122278444
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
CID 122278182

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide (CID 122278193) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCn1nc(C2CC2)ccc1=O.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide?
The InChIKey is KIQHQQXBBDMNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-18(16,17)12-7-8-14-11(15)6-5-10(13-14)9-3-4-9/h5-6,9,12H,2-4,7-8H2,1H3.
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 122278193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).