4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione

C13H15N3O4S — CID 66075640

IUPAC4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H15N3O4S/c1-8-13(18)15-12(17)7-16(8)21(19,20)10-2-3-11-9(6-10)4-5-14-11/h2-3,6,8,14H,4-5,7H2,1H3,(H,15,17,18)
InChIKeyCHASOJVHVSISAN-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.31
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione

4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66075640) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione
PubChem CID66075640
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H15N3O4S/c1-8-13(18)15-12(17)7-16(8)21(19,20)10-2-3-11-9(6-10)4-5-14-11/h2-3,6,8,14H,4-5,7H2,1H3,(H,15,17,18)
InChIKeyCHASOJVHVSISAN-UHFFFAOYSA-N
XLogP-0.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione (CID 66075640) is 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1S(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is CHASOJVHVSISAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-13(18)15-12(17)7-16(8)21(19,20)10-2-3-11-9(6-10)4-5-14-11/h2-3,6,8,14H,4-5,7H2,1H3,(H,15,17,18).
What are the key properties of 4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione?
4-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 309.35 g/mol, XLogP of -0.31, 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-5-ylsulfonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66075640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).