N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H19N5O3S — CID 113038928

IUPACN-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(NC2CCCC2)nn1
InChIInChI=1S/C14H19N5O3S/c1-9-14(10(2)22-18-9)23(20,21)19-13-8-7-12(16-17-13)15-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyVNVWKNPUACSRHN-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.24
Rot. Bonds5

About N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113038928) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113038928
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(NC2CCCC2)nn1
InChIInChI=1S/C14H19N5O3S/c1-9-14(10(2)22-18-9)23(20,21)19-13-8-7-12(16-17-13)15-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyVNVWKNPUACSRHN-UHFFFAOYSA-N
XLogP2.24
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113038928) is N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(NC2CCCC2)nn1.
What is the InChIKey of N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VNVWKNPUACSRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9-14(10(2)22-18-9)23(20,21)19-13-8-7-12(16-17-13)15-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 337.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopentylamino)pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113038928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).