4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione

C10H12N4O4S — CID 66061070

IUPAC4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
SMILESCNc1ccncc1S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H12N4O4S/c1-11-7-2-3-12-4-8(7)19(17,18)14-5-9(15)13-10(16)6-14/h2-4H,5-6H2,1H3,(H,11,12)(H,13,15,16)
InChIKeyRRUQTXMKULWZAT-UHFFFAOYSA-N
MW284.30 g/mol
LogP-1.23
Rot. Bonds3

About 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione

4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione (PubChem CID 66061070) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
PubChem CID66061070
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Name4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
SMILESCNc1ccncc1S(=O)(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H12N4O4S/c1-11-7-2-3-12-4-8(7)19(17,18)14-5-9(15)13-10(16)6-14/h2-4H,5-6H2,1H3,(H,11,12)(H,13,15,16)
InChIKeyRRUQTXMKULWZAT-UHFFFAOYSA-N
XLogP-1.23
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(ethylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione
CID 66062238
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
CID 66370510
1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 64694981
4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083611
1-methyl-4-[[4-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-2-one
CID 102892159
[1-[[4-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628547
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine
CID 64581559
1-[[4-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108857
3,3-dimethyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 81245242
[3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine
CID 65282984
3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 81244952
4-[2-(ethylamino)phenyl]sulfonylpiperazine-2,6-dione
CID 66061654

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione?
The IUPAC name of 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione (CID 66061070) is 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione?
The canonical SMILES for 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione is CNc1ccncc1S(=O)(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione?
The InChIKey is RRUQTXMKULWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S/c1-11-7-2-3-12-4-8(7)19(17,18)14-5-9(15)13-10(16)6-14/h2-4H,5-6H2,1H3,(H,11,12)(H,13,15,16).
What are the key properties of 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione?
4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione has a molecular weight of 284.30 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylamino)-3-pyridinyl]sulfonyl]piperazine-2,6-dione is sourced from PubChem (CID 66061070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).