4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione

C12H13N3O4S — CID 66062795

IUPAC4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc3c(c2)NCC3)CC(=O)N1
InChIInChI=1S/C12H13N3O4S/c16-11-6-15(7-12(17)14-11)20(18,19)9-2-1-8-3-4-13-10(8)5-9/h1-2,5,13H,3-4,6-7H2,(H,14,16,17)
InChIKeyICQOVRXKNWZWGY-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.70
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione

4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione (PubChem CID 66062795) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione
PubChem CID66062795
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc3c(c2)NCC3)CC(=O)N1
InChIInChI=1S/C12H13N3O4S/c16-11-6-15(7-12(17)14-11)20(18,19)9-2-1-8-3-4-13-10(8)5-9/h1-2,5,13H,3-4,6-7H2,(H,14,16,17)
InChIKeyICQOVRXKNWZWGY-UHFFFAOYSA-N
XLogP-0.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 79181143
4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
CID 81108203
N,N-dimethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 10376417
[4-(2,3-dihydro-1H-indol-6-ylsulfonyl)morpholin-2-yl]methanol
CID 81205308
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione
CID 66075640
2-[1-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperidin-3-yl]ethanol
CID 107227904
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)thiomorpholine
CID 43119942
4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione
CID 82843665
7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 71875688
4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione
CID 66063399
5-(3,5-dioxopiperazin-1-yl)sulfonyl-2-hydroxybenzoic acid
CID 66085075
2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114798323

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione?
The IUPAC name of 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione (CID 66062795) is 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione is O=C1CN(S(=O)(=O)c2ccc3c(c2)NCC3)CC(=O)N1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione?
The InChIKey is ICQOVRXKNWZWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c16-11-6-15(7-12(17)14-11)20(18,19)9-2-1-8-3-4-13-10(8)5-9/h1-2,5,13H,3-4,6-7H2,(H,14,16,17).
What are the key properties of 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione?
4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione has a molecular weight of 295.32 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-6-ylsulfonyl)piperazine-2,6-dione is sourced from PubChem (CID 66062795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).