N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine

C15H26N4O3S — CID 95825932

IUPACN-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine
SMILESCOCCN(C)c1ccc(C[C@@H]2CCCN(S(C)(=O)=O)C2)nn1
InChIInChI=1S/C15H26N4O3S/c1-18(9-10-22-2)15-7-6-14(16-17-15)11-13-5-4-8-19(12-13)23(3,20)21/h6-7,13H,4-5,8-12H2,1-3H3/t13-/m0/s1
InChIKeyVRSLMBSPABUZCN-ZDUSSCGKSA-N
MW342.47 g/mol
LogP0.77
Rot. Bonds7

About N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine

N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine (PubChem CID 95825932) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine
PubChem CID95825932
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine
SMILESCOCCN(C)c1ccc(C[C@@H]2CCCN(S(C)(=O)=O)C2)nn1
InChIInChI=1S/C15H26N4O3S/c1-18(9-10-22-2)15-7-6-14(16-17-15)11-13-5-4-8-19(12-13)23(3,20)21/h6-7,13H,4-5,8-12H2,1-3H3/t13-/m0/s1
InChIKeyVRSLMBSPABUZCN-ZDUSSCGKSA-N
XLogP0.77
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 73440085
[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
6-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]-N,N-dimethylpyridazin-3-amine
CID 175655394
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
CID 110257244
2-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1H-pyrazol-4-yl)pyrazine
CID 124945514
2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95847101
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978
3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanenitrile
CID 113249300
6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine
CID 95847201
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine (CID 95825932) is N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine is COCCN(C)c1ccc(C[C@@H]2CCCN(S(C)(=O)=O)C2)nn1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine?
The InChIKey is VRSLMBSPABUZCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-18(9-10-22-2)15-7-6-14(16-17-15)11-13-5-4-8-19(12-13)23(3,20)21/h6-7,13H,4-5,8-12H2,1-3H3/t13-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine?
N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine has a molecular weight of 342.47 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 95825932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).