N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

C13H20N4O4S — CID 91627374

IUPACN-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccc(OC2CCN(C(=O)CN(C)S(C)(=O)=O)C2)nn1
InChIInChI=1S/C13H20N4O4S/c1-10-4-5-12(15-14-10)21-11-6-7-17(8-11)13(18)9-16(2)22(3,19)20/h4-5,11H,6-9H2,1-3H3
InChIKeyLQRUUYFSOQDJLN-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.34
Rot. Bonds5

About N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 91627374) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID91627374
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccc(OC2CCN(C(=O)CN(C)S(C)(=O)=O)C2)nn1
InChIInChI=1S/C13H20N4O4S/c1-10-4-5-12(15-14-10)21-11-6-7-17(8-11)13(18)9-16(2)22(3,19)20/h4-5,11H,6-9H2,1-3H3
InChIKeyLQRUUYFSOQDJLN-UHFFFAOYSA-N
XLogP-0.34
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 91627374) is N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is Cc1ccc(OC2CCN(C(=O)CN(C)S(C)(=O)=O)C2)nn1.
What is the InChIKey of N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is LQRUUYFSOQDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-10-4-5-12(15-14-10)21-11-6-7-17(8-11)13(18)9-16(2)22(3,19)20/h4-5,11H,6-9H2,1-3H3.
What are the key properties of N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 328.39 g/mol, XLogP of -0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 91627374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).