6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine

C17H22N4O2S — CID 75521032

IUPAC6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3cncc(C)n3)CC2)cc1
InChIInChI=1S/C17H22N4O2S/c1-13-3-5-16(6-4-13)24(22,23)21-9-7-15(8-10-21)20-17-12-18-11-14(2)19-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyMGXBJRSMWZKMKR-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.36
Rot. Bonds4

About 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine

6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine (PubChem CID 75521032) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
PubChem CID75521032
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3cncc(C)n3)CC2)cc1
InChIInChI=1S/C17H22N4O2S/c1-13-3-5-16(6-4-13)24(22,23)21-9-7-15(8-10-21)20-17-12-18-11-14(2)19-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyMGXBJRSMWZKMKR-UHFFFAOYSA-N
XLogP2.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122052821
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
CID 136512662
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 91653166
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
3-tert-butyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489059
N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 3977208
6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine
CID 170265816
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 17451201
N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
CID 4521391

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine?
The IUPAC name of 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine (CID 75521032) is 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine.
What is the SMILES notation for 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine?
The canonical SMILES for 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine is Cc1ccc(S(=O)(=O)N2CCC(Nc3cncc(C)n3)CC2)cc1.
What is the InChIKey of 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine?
The InChIKey is MGXBJRSMWZKMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-3-5-16(6-4-13)24(22,23)21-9-7-15(8-10-21)20-17-12-18-11-14(2)19-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine?
6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine has a molecular weight of 346.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine is sourced from PubChem (CID 75521032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).