5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde

C14H16N2O3S — CID 3525343

IUPAC5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C14H16N2O3S/c17-10-11-9-15-14-5-4-12(8-13(11)14)20(18,19)16-6-2-1-3-7-16/h4-5,8-10,15H,1-3,6-7H2
InChIKeyWFCONAINXBNYLU-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.15
Rot. Bonds3

About 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde

5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde (PubChem CID 3525343) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
PubChem CID3525343
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C14H16N2O3S/c17-10-11-9-15-14-5-4-12(8-13(11)14)20(18,19)16-6-2-1-3-7-16/h4-5,8-10,15H,1-3,6-7H2
InChIKeyWFCONAINXBNYLU-UHFFFAOYSA-N
XLogP2.15
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde (CID 3525343) is 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
The InChIKey is WFCONAINXBNYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-10-11-9-15-14-5-4-12(8-13(11)14)20(18,19)16-6-2-1-3-7-16/h4-5,8-10,15H,1-3,6-7H2.
What are the key properties of 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde?
5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde has a molecular weight of 292.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3525343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).