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

C10H14N4O3S — CID 62144746

IUPAC4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
SMILESCNc1ncccc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H14N4O3S/c1-11-10-8(3-2-4-13-10)18(16,17)14-6-5-12-9(15)7-14/h2-4H,5-7H2,1H3,(H,11,13)(H,12,15)
InChIKeySRIOGUOXCYEGBN-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.76
Rot. Bonds3

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

4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one (PubChem CID 62144746) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
PubChem CID62144746
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
SMILESCNc1ncccc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H14N4O3S/c1-11-10-8(3-2-4-13-10)18(16,17)14-6-5-12-9(15)7-14/h2-4H,5-7H2,1H3,(H,11,13)(H,12,15)
InChIKeySRIOGUOXCYEGBN-UHFFFAOYSA-N
XLogP-0.76
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 106593628
3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 55044035
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-N-methylpyridin-2-amine
CID 64575485
3-(4,4-diethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 63161871
methyl 2-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 47103900
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-methylpyridin-2-amine
CID 102728064
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 82753381
3-(3-ethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 62146476
N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
CID 62966962
2-[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107226271
N-(3-methyl-2-pyridinyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332424

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one?
The IUPAC name of 4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one (CID 62144746) is 4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one.
What is the SMILES notation for 4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one?
The canonical SMILES for 4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one is CNc1ncccc1S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one?
The InChIKey is SRIOGUOXCYEGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-11-10-8(3-2-4-13-10)18(16,17)14-6-5-12-9(15)7-14/h2-4H,5-7H2,1H3,(H,11,13)(H,12,15).
What are the key properties of 4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one?
4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one has a molecular weight of 270.31 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one is sourced from PubChem (CID 62144746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).