5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one

C15H26N4O2S — CID 95897255

IUPAC5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one
SMILESCC(C)SCCn1ncc(N2CCO[C@@H](CCN)C2)cc1=O
InChIInChI=1S/C15H26N4O2S/c1-12(2)22-8-6-19-15(20)9-13(10-17-19)18-5-7-21-14(11-18)3-4-16/h9-10,12,14H,3-8,11,16H2,1-2H3/t14-/m0/s1
InChIKeyMFTOVZGDUACOTB-AWEZNQCLSA-N
MW326.47 g/mol
LogP0.94
Rot. Bonds7

About 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one

5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one (PubChem CID 95897255) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one
PubChem CID95897255
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one
SMILESCC(C)SCCn1ncc(N2CCO[C@@H](CCN)C2)cc1=O
InChIInChI=1S/C15H26N4O2S/c1-12(2)22-8-6-19-15(20)9-13(10-17-19)18-5-7-21-14(11-18)3-4-16/h9-10,12,14H,3-8,11,16H2,1-2H3/t14-/m0/s1
InChIKeyMFTOVZGDUACOTB-AWEZNQCLSA-N
XLogP0.94
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
N,N-dimethyl-N'-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}sulfamide
CID 70781144
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075
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-(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
3-methoxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56881900
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-pent-2-ynylpyridazin-3-one
CID 56882486
2-[2-(ethylthio)ethyl]-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56885698
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(cyclopropylmethyl)-3(2H)-pyridazinone
CID 56901306
2,2-dimethyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56909182

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one (CID 95897255) is 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one is CC(C)SCCn1ncc(N2CCO[C@@H](CCN)C2)cc1=O.
What is the InChIKey of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one?
The InChIKey is MFTOVZGDUACOTB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12(2)22-8-6-19-15(20)9-13(10-17-19)18-5-7-21-14(11-18)3-4-16/h9-10,12,14H,3-8,11,16H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one?
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one has a molecular weight of 326.47 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(2-propan-2-ylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 95897255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).