(3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine

C15H26N6O3S — CID 174324934

IUPAC(3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)NC1CN(C)C1
InChIInChI=1S/C15H26N6O3S/c1-20-9-13(10-20)18-25(22,23)19-14-5-7-21(8-12(14)11-24-2)15-4-3-6-16-17-15/h3-4,6,12-14,18-19H,5,7-11H2,1-2H3/t12-,14-/m0/s1
InChIKeySJEJMLOUPSFJEC-JSGCOSHPSA-N
MW370.48 g/mol
LogP-0.94
Rot. Bonds7

About (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine

(3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine (PubChem CID 174324934) has the molecular formula C15H26N6O3S and a molecular weight of 370.48 g/mol. Its IUPAC name is (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine
PubChem CID174324934
Molecular FormulaC15H26N6O3S
Molecular Weight370.48 g/mol
Exact Mass370.18
IUPAC Name(3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)NC1CN(C)C1
InChIInChI=1S/C15H26N6O3S/c1-20-9-13(10-20)18-25(22,23)19-14-5-7-21(8-12(14)11-24-2)15-4-3-6-16-17-15/h3-4,6,12-14,18-19H,5,7-11H2,1-2H3/t12-,14-/m0/s1
InChIKeySJEJMLOUPSFJEC-JSGCOSHPSA-N
XLogP-0.94
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine?
The IUPAC name of (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine (CID 174324934) is (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine is COC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)NC1CN(C)C1.
What is the InChIKey of (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine?
The InChIKey is SJEJMLOUPSFJEC-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H26N6O3S/c1-20-9-13(10-20)18-25(22,23)19-14-5-7-21(8-12(14)11-24-2)15-4-3-6-16-17-15/h3-4,6,12-14,18-19H,5,7-11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine?
(3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine has a molecular weight of 370.48 g/mol, XLogP of -0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(methoxymethyl)-N-[(1-methylazetidin-3-yl)sulfamoyl]-1-pyridazin-3-ylpiperidin-4-amine is sourced from PubChem (CID 174324934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).