N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide

C19H26N4O3S — CID 177181366

IUPACN-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(C)c(Oc2nc(N3CCNCC3)ccc2NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H26N4O3S/c1-13-11-14(2)18(15(3)12-13)26-19-16(22-27(4,24)25)5-6-17(21-19)23-9-7-20-8-10-23/h5-6,11-12,20,22H,7-10H2,1-4H3
InChIKeyIQAOCLAGQUBPGE-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.58
Rot. Bonds5

About N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide

N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide (PubChem CID 177181366) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
PubChem CID177181366
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(C)c(Oc2nc(N3CCNCC3)ccc2NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H26N4O3S/c1-13-11-14(2)18(15(3)12-13)26-19-16(22-27(4,24)25)5-6-17(21-19)23-9-7-20-8-10-23/h5-6,11-12,20,22H,7-10H2,1-4H3
InChIKeyIQAOCLAGQUBPGE-UHFFFAOYSA-N
XLogP2.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
CID 176830881
[4-[5-amino-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]piperazin-1-yl]-cyclopropylmethanone;ethane
CID 177181389
N-(2,4-dimethylphenyl)piperazine-1-sulfonamide
CID 28775571
2-methoxy-6-piperazin-1-ylpyridin-3-amine
CID 62137469
1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride
CID 127263496
4-methyl-2-piperazin-1-ylquinoline
CID 598754
methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate
CID 174326675
N-[2-(1,4-diazepane-1-carbonyl)-4-methylphenyl]methanesulfonamide
CID 119414359
6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 68568912
3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
CID 46333263
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
N-[6-(5-cyano-3-pyridinyl)-2-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidin-5-yl]oxy-3-pyridinyl]methanesulfonamide
CID 176830686

Frequently Asked Questions

What is the IUPAC name of N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide (CID 177181366) is N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide is Cc1cc(C)c(Oc2nc(N3CCNCC3)ccc2NS(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide?
The InChIKey is IQAOCLAGQUBPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13-11-14(2)18(15(3)12-13)26-19-16(22-27(4,24)25)5-6-17(21-19)23-9-7-20-8-10-23/h5-6,11-12,20,22H,7-10H2,1-4H3.
What are the key properties of N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide?
N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 177181366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).