N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide

C14H24N4O2S — CID 165434698

IUPACN-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)(C)c1ccc(N2CCC(NS(C)(=O)=O)CC2)nn1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)12-5-6-13(16-15-12)18-9-7-11(8-10-18)17-21(4,19)20/h5-6,11,17H,7-10H2,1-4H3
InChIKeyKGKOZTXFHCVAEA-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.29
Rot. Bonds3

About N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide

N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 165434698) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
PubChem CID165434698
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
SMILESCC(C)(C)c1ccc(N2CCC(NS(C)(=O)=O)CC2)nn1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)12-5-6-13(16-15-12)18-9-7-11(8-10-18)17-21(4,19)20/h5-6,11,17H,7-10H2,1-4H3
InChIKeyKGKOZTXFHCVAEA-UHFFFAOYSA-N
XLogP1.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691567
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
CID 171691198
1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
CID 116972417
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
1-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603329
2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175648477
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
4-tert-butyl-N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 139547891
2-(6-tert-butylpyridazin-3-yl)-N-methyl-2-azaspiro[3.3]heptan-6-amine
CID 134595633
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
(8S)-5-(6-tert-butylpyridazin-3-yl)-5-azaspiro[2.5]octan-8-ol
CID 134595736

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide (CID 165434698) is N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide is CC(C)(C)c1ccc(N2CCC(NS(C)(=O)=O)CC2)nn1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is KGKOZTXFHCVAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-14(2,3)12-5-6-13(16-15-12)18-9-7-11(8-10-18)17-21(4,19)20/h5-6,11,17H,7-10H2,1-4H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 165434698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).