1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine

C18H30N4O2S — CID 126918355

IUPAC1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(CC1CCS(=O)(=O)CC1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C18H30N4O2S/c1-18(2,3)16-5-6-17(20-19-16)22-12-15(13-22)21(4)11-14-7-9-25(23,24)10-8-14/h5-6,14-15H,7-13H2,1-4H3
InChIKeyWSHJXGAJRITLSH-UHFFFAOYSA-N
MW366.53 g/mol
LogP1.72
Rot. Bonds4

About 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine

1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine (PubChem CID 126918355) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
PubChem CID126918355
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(CC1CCS(=O)(=O)CC1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C18H30N4O2S/c1-18(2,3)16-5-6-17(20-19-16)22-12-15(13-22)21(4)11-14-7-9-25(23,24)10-8-14/h5-6,14-15H,7-13H2,1-4H3
InChIKeyWSHJXGAJRITLSH-UHFFFAOYSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine with MolForge

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Related Compounds

1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126922978
1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine
CID 126917570
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691567
1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
CID 126918251
1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone
CID 126918327
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine
CID 126918220
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126918267
6-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
CID 126918236
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine
CID 126918445
1-(6-tert-butylpyridazin-3-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylazetidin-3-amine
CID 126918170

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine (CID 126918355) is 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine is CN(CC1CCS(=O)(=O)CC1)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine?
The InChIKey is WSHJXGAJRITLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-18(2,3)16-5-6-17(20-19-16)22-12-15(13-22)21(4)11-14-7-9-25(23,24)10-8-14/h5-6,14-15H,7-13H2,1-4H3.
What are the key properties of 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine?
1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine has a molecular weight of 366.53 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 126918355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).