2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine

C13H23N5O4S — CID 70781144

IUPAC2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine
SMILESCN(C)S(=O)(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C13H23N5O4S/c1-16(2)23(20,21)15-5-4-12-10-18(6-7-22-12)11-8-13(19)17(3)14-9-11/h8-9,12,15H,4-7,10H2,1-3H3
InChIKeyLKFJTXUAEYFAKH-UHFFFAOYSA-N
MW345.43 g/mol
LogP-1.23
Rot. Bonds6

About 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine

2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine (PubChem CID 70781144) has the molecular formula C13H23N5O4S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine
PubChem CID70781144
Molecular FormulaC13H23N5O4S
Molecular Weight345.43 g/mol
Exact Mass345.15
IUPAC Name2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine
SMILESCN(C)S(=O)(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C13H23N5O4S/c1-16(2)23(20,21)15-5-4-12-10-18(6-7-22-12)11-8-13(19)17(3)14-9-11/h8-9,12,15H,4-7,10H2,1-3H3
InChIKeyLKFJTXUAEYFAKH-UHFFFAOYSA-N
XLogP-1.23
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}acetamide
CID 56898251
Propyl {2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}carbamate
CID 70730611
2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
3,3,3-trifluoro-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56885431
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075
3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709508
3,3,3-trifluoro-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709509
5-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725139
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725140
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one;hydrochloride
CID 154893091
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide
CID 45229737

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine?
The IUPAC name of 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine (CID 70781144) is 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine.
What is the SMILES notation for 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine?
The canonical SMILES for 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine is CN(C)S(=O)(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine?
The InChIKey is LKFJTXUAEYFAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O4S/c1-16(2)23(20,21)15-5-4-12-10-18(6-7-22-12)11-8-13(19)17(3)14-9-11/h8-9,12,15H,4-7,10H2,1-3H3.
What are the key properties of 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine?
2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine has a molecular weight of 345.43 g/mol, XLogP of -1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoylamino)ethyl]-4-(1-methyl-6-oxopyridazin-4-yl)morpholine is sourced from PubChem (CID 70781144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).