N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide

C17H22N6O3S — CID 126920005

IUPACN-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCC1CN(c2ccc(-c3ccncc3)nn2)C1)N1CCOCC1
InChIInChI=1S/C17H22N6O3S/c24-27(25,23-7-9-26-10-8-23)19-11-14-12-22(13-14)17-2-1-16(20-21-17)15-3-5-18-6-4-15/h1-6,14,19H,7-13H2
InChIKeyZQHVMKPPSQREIK-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.14
Rot. Bonds6

About N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide

N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide (PubChem CID 126920005) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide
PubChem CID126920005
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC NameN-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCC1CN(c2ccc(-c3ccncc3)nn2)C1)N1CCOCC1
InChIInChI=1S/C17H22N6O3S/c24-27(25,23-7-9-26-10-8-23)19-11-14-12-22(13-14)17-2-1-16(20-21-17)15-3-5-18-6-4-15/h1-6,14,19H,7-13H2
InChIKeyZQHVMKPPSQREIK-UHFFFAOYSA-N
XLogP0.14
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide (CID 126920005) is N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide is O=S(=O)(NCC1CN(c2ccc(-c3ccncc3)nn2)C1)N1CCOCC1.
What is the InChIKey of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide?
The InChIKey is ZQHVMKPPSQREIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c24-27(25,23-7-9-26-10-8-23)19-11-14-12-22(13-14)17-2-1-16(20-21-17)15-3-5-18-6-4-15/h1-6,14,19H,7-13H2.
What are the key properties of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide?
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide has a molecular weight of 390.47 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 126920005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).