1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one

C11H16N4O3S — CID 64694981

IUPAC1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
SMILESCNc1ccncc1S(=O)(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C11H16N4O3S/c1-12-9-3-4-13-7-10(9)19(17,18)15-6-5-14(2)11(16)8-15/h3-4,7H,5-6,8H2,1-2H3,(H,12,13)
InChIKeyKESICQNYTBVVNS-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.41
Rot. Bonds3

About 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one

1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one (PubChem CID 64694981) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
PubChem CID64694981
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
SMILESCNc1ccncc1S(=O)(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C11H16N4O3S/c1-12-9-3-4-13-7-10(9)19(17,18)15-6-5-14(2)11(16)8-15/h3-4,7H,5-6,8H2,1-2H3,(H,12,13)
InChIKeyKESICQNYTBVVNS-UHFFFAOYSA-N
XLogP-0.41
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one (CID 64694981) is 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one is CNc1ccncc1S(=O)(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one?
The InChIKey is KESICQNYTBVVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-12-9-3-4-13-7-10(9)19(17,18)15-6-5-14(2)11(16)8-15/h3-4,7H,5-6,8H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one?
1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one has a molecular weight of 284.34 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one is sourced from PubChem (CID 64694981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).