3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine

C12H21N5O2S — CID 113039258

IUPAC3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine
SMILESCC1CCN(c2ccc(NS(=O)(=O)N(C)C)nn2)CC1
InChIInChI=1S/C12H21N5O2S/c1-10-6-8-17(9-7-10)12-5-4-11(13-14-12)15-20(18,19)16(2)3/h4-5,10H,6-9H2,1-3H3,(H,13,15)
InChIKeyNEJUPFUFAXNKFR-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.93
Rot. Bonds4

About 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine

3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine (PubChem CID 113039258) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine
PubChem CID113039258
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine
SMILESCC1CCN(c2ccc(NS(=O)(=O)N(C)C)nn2)CC1
InChIInChI=1S/C12H21N5O2S/c1-10-6-8-17(9-7-10)12-5-4-11(13-14-12)15-20(18,19)16(2)3/h4-5,10H,6-9H2,1-3H3,(H,13,15)
InChIKeyNEJUPFUFAXNKFR-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoylamino)-6-piperidin-1-ylpyridazine
CID 113039016
3-(dimethylsulfamoylamino)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 113043949
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113039262
3-(dimethylsulfamoylamino)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
CID 113043895
3-(dimethylsulfamoylamino)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazine
CID 113043785
3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 18584515
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(4-methylpiperidin-1-yl)pyridazin-3-amine
CID 66520536
2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039196
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039221

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine (CID 113039258) is 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine is CC1CCN(c2ccc(NS(=O)(=O)N(C)C)nn2)CC1.
What is the InChIKey of 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine?
The InChIKey is NEJUPFUFAXNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-10-6-8-17(9-7-10)12-5-4-11(13-14-12)15-20(18,19)16(2)3/h4-5,10H,6-9H2,1-3H3,(H,13,15).
What are the key properties of 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine?
3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine has a molecular weight of 299.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-6-(4-methylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 113039258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).