4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione

C12H16N4O4S — CID 66074501

IUPAC4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione
SMILESCCNc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2C)cn1
InChIInChI=1S/C12H16N4O4S/c1-3-13-10-5-4-9(6-14-10)21(19,20)16-7-11(17)15-12(18)8(16)2/h4-6,8H,3,7H2,1-2H3,(H,13,14)(H,15,17,18)
InChIKeyUCMVJXMXXHTUOF-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.45
Rot. Bonds4

About 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione

4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione (PubChem CID 66074501) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione
PubChem CID66074501
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione
SMILESCCNc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2C)cn1
InChIInChI=1S/C12H16N4O4S/c1-3-13-10-5-4-9(6-14-10)21(19,20)16-7-11(17)15-12(18)8(16)2/h4-6,8H,3,7H2,1-2H3,(H,13,14)(H,15,17,18)
InChIKeyUCMVJXMXXHTUOF-UHFFFAOYSA-N
XLogP-0.45
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

4-(benzenesulfonyl)-3-methylpiperazine-2,6-dione
CID 66062559
4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazine-2,6-dione
CID 66075834
4-[(2-chloro-4-pyridinyl)sulfonyl]-3-methylpiperazine-2,6-dione
CID 66063132
4-(4-bromo-3-methylphenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66063719
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62149616
6-(ethylamino)-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
CID 113467463
4-(4-amino-3-bromophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66063444
4-(4-amino-3-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 115330200
4-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine-2,6-dione
CID 106606445
1-[[6-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 55130406
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione
CID 66075640

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione (CID 66074501) is 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione is CCNc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2C)cn1.
What is the InChIKey of 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione?
The InChIKey is UCMVJXMXXHTUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-3-13-10-5-4-9(6-14-10)21(19,20)16-7-11(17)15-12(18)8(16)2/h4-6,8H,3,7H2,1-2H3,(H,13,14)(H,15,17,18).
What are the key properties of 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione?
4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione has a molecular weight of 312.35 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66074501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).