methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate

C13H19N3O4S — CID 155962435

IUPACmethyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)nc1C
InChIInChI=1S/C13H19N3O4S/c1-10-11(13(17)20-3)4-5-12(14-10)21(18,19)16-8-6-15(2)7-9-16/h4-5H,6-9H2,1-3H3
InChIKeyMGYLPZMRNXXYAN-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.11
Rot. Bonds3

About methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate

methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate (PubChem CID 155962435) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate
PubChem CID155962435
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Namemethyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)nc1C
InChIInChI=1S/C13H19N3O4S/c1-10-11(13(17)20-3)4-5-12(14-10)21(18,19)16-8-6-15(2)7-9-16/h4-5H,6-9H2,1-3H3
InChIKeyMGYLPZMRNXXYAN-UHFFFAOYSA-N
XLogP0.11
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 47104022
methyl 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxybenzoate
CID 10784483
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
methyl 3-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 122341188
methyl 7-cyclopropylsulfonyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylate
CID 155874253
methyl 4-methyl-2-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-1,3-thiazole-5-carboxylate
CID 55383301
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate
CID 51263564
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
methyl 5-(4-methylpiperazin-1-yl)sulfonyl-2-phenylmethoxybenzoate
CID 67107392
methyl 2-chloro-4-(4-methylpiperazin-1-yl)benzoate
CID 122129607
methyl (2R)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 101364585

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate (CID 155962435) is methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate is COC(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)nc1C.
What is the InChIKey of methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate?
The InChIKey is MGYLPZMRNXXYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10-11(13(17)20-3)4-5-12(14-10)21(18,19)16-8-6-15(2)7-9-16/h4-5H,6-9H2,1-3H3.
What are the key properties of methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate?
methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(4-methylpiperazin-1-yl)sulfonylpyridine-3-carboxylate is sourced from PubChem (CID 155962435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).