1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine

C13H23N3O2S — CID 105112925

IUPAC1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1cc(C)nnc1C
InChIInChI=1S/C13H23N3O2S/c1-5-14-13(7-6-8-19(4,17)18)12-9-10(2)15-16-11(12)3/h9,13-14H,5-8H2,1-4H3
InChIKeyDRVQECLOTPNIIW-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.57
Rot. Bonds7

About 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine

1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine (PubChem CID 105112925) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
PubChem CID105112925
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1cc(C)nnc1C
InChIInChI=1S/C13H23N3O2S/c1-5-14-13(7-6-8-19(4,17)18)12-9-10(2)15-16-11(12)3/h9,13-14H,5-8H2,1-4H3
InChIKeyDRVQECLOTPNIIW-UHFFFAOYSA-N
XLogP1.57
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-methylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820342
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
1-(3-ethyl-6-methylpyridazin-4-yl)-4-methylsulfonylbutan-1-amine
CID 105113206
2-cyclopropyl-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105152783
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923316
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113033
1-(1,3-dimethylpyrazol-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 102803115
1-(3,6-dimethylpyridazin-4-yl)heptylhydrazine
CID 105294084
1-(3-ethoxyphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 63192449
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
N-ethyl-4-methylsulfonyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115820906

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine (CID 105112925) is 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine is CCNC(CCCS(C)(=O)=O)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine?
The InChIKey is DRVQECLOTPNIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-14-13(7-6-8-19(4,17)18)12-9-10(2)15-16-11(12)3/h9,13-14H,5-8H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine?
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 105112925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).