N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine

C13H22N4O2S2 — CID 66383798

IUPACN-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCSCC2S(C)(=O)=O)nn1
InChIInChI=1S/C13H22N4O2S2/c1-10(2)14-8-11-4-5-12(16-15-11)17-6-7-20-9-13(17)21(3,18)19/h4-5,10,13-14H,6-9H2,1-3H3
InChIKeyCGGHEYAPFWZGIB-UHFFFAOYSA-N
MW330.48 g/mol
LogP0.90
Rot. Bonds5

About N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine

N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 66383798) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID66383798
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC NameN-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCSCC2S(C)(=O)=O)nn1
InChIInChI=1S/C13H22N4O2S2/c1-10(2)14-8-11-4-5-12(16-15-11)17-6-7-20-9-13(17)21(3,18)19/h4-5,10,13-14H,6-9H2,1-3H3
InChIKeyCGGHEYAPFWZGIB-UHFFFAOYSA-N
XLogP0.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine (CID 66383798) is N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine is CC(C)NCc1ccc(N2CCSCC2S(C)(=O)=O)nn1.
What is the InChIKey of N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is CGGHEYAPFWZGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-10(2)14-8-11-4-5-12(16-15-11)17-6-7-20-9-13(17)21(3,18)19/h4-5,10,13-14H,6-9H2,1-3H3.
What are the key properties of N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 330.48 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66383798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).