5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione

C14H16N2O4S — CID 4117477

IUPAC5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1
InChIInChI=1S/C14H16N2O4S/c1-9-4-6-16(7-5-9)21(19,20)10-2-3-12-11(8-10)13(17)14(18)15-12/h2-3,8-9H,4-7H2,1H3,(H,15,17,18)
InChIKeyBQKVHNAQDABFSN-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.24
Rot. Bonds2

About 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione

5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione (PubChem CID 4117477) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
PubChem CID4117477
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1
InChIInChI=1S/C14H16N2O4S/c1-9-4-6-16(7-5-9)21(19,20)10-2-3-12-11(8-10)13(17)14(18)15-12/h2-3,8-9H,4-7H2,1H3,(H,15,17,18)
InChIKeyBQKVHNAQDABFSN-UHFFFAOYSA-N
XLogP1.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione (CID 4117477) is 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione is CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione?
The InChIKey is BQKVHNAQDABFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-4-6-16(7-5-9)21(19,20)10-2-3-12-11(8-10)13(17)14(18)15-12/h2-3,8-9H,4-7H2,1H3,(H,15,17,18).
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione?
5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione has a molecular weight of 308.36 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione is sourced from PubChem (CID 4117477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).