3-(4-methylpiperidin-1-yl)sulfonylpyridazine

C10H15N3O2S — CID 170387335

IUPAC3-(4-methylpiperidin-1-yl)sulfonylpyridazine
SMILESCC1CCN(S(=O)(=O)c2cccnn2)CC1
InChIInChI=1S/C10H15N3O2S/c1-9-4-7-13(8-5-9)16(14,15)10-3-2-6-11-12-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyYWZYDBSHNAOYQH-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.90
Rot. Bonds2

About 3-(4-methylpiperidin-1-yl)sulfonylpyridazine

3-(4-methylpiperidin-1-yl)sulfonylpyridazine (PubChem CID 170387335) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonylpyridazine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonylpyridazine
PubChem CID170387335
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonylpyridazine
SMILESCC1CCN(S(=O)(=O)c2cccnn2)CC1
InChIInChI=1S/C10H15N3O2S/c1-9-4-7-13(8-5-9)16(14,15)10-3-2-6-11-12-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyYWZYDBSHNAOYQH-UHFFFAOYSA-N
XLogP0.90
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propan-2-ylpiperidin-1-yl)sulfonylpyridazine
CID 176873028
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
[2-(4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103300836
2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
CID 58211354
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
2-(4-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303589
2-(4-methylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 24690272
1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 86589093
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonylpyridazine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonylpyridazine (CID 170387335) is 3-(4-methylpiperidin-1-yl)sulfonylpyridazine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonylpyridazine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonylpyridazine is CC1CCN(S(=O)(=O)c2cccnn2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonylpyridazine?
The InChIKey is YWZYDBSHNAOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-9-4-7-13(8-5-9)16(14,15)10-3-2-6-11-12-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonylpyridazine?
3-(4-methylpiperidin-1-yl)sulfonylpyridazine has a molecular weight of 241.32 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonylpyridazine is sourced from PubChem (CID 170387335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).