1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide

C14H19IN2O2S — CID 89041148

IUPAC1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide
SMILESCCN1CC2(CCN(S(=O)(=O)I)CC2)c2ccccc21
InChIInChI=1S/C14H19IN2O2S/c1-2-16-11-14(12-5-3-4-6-13(12)16)7-9-17(10-8-14)20(15,18)19/h3-6H,2,7-11H2,1H3
InChIKeyKVHHSZSWVJTUSK-UHFFFAOYSA-N
MW406.29 g/mol
LogP2.54
Rot. Bonds2

About 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide

1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide (PubChem CID 89041148) has the molecular formula C14H19IN2O2S and a molecular weight of 406.29 g/mol. Its IUPAC name is 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide.

Molecular Properties

Compound Name1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide
PubChem CID89041148
Molecular FormulaC14H19IN2O2S
Molecular Weight406.29 g/mol
Exact Mass406.02
IUPAC Name1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide
SMILESCCN1CC2(CCN(S(=O)(=O)I)CC2)c2ccccc21
InChIInChI=1S/C14H19IN2O2S/c1-2-16-11-14(12-5-3-4-6-13(12)16)7-9-17(10-8-14)20(15,18)19/h3-6H,2,7-11H2,1H3
InChIKeyKVHHSZSWVJTUSK-UHFFFAOYSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide?
The IUPAC name of 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide (CID 89041148) is 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide.
What is the SMILES notation for 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide?
The canonical SMILES for 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide is CCN1CC2(CCN(S(=O)(=O)I)CC2)c2ccccc21.
What is the InChIKey of 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide?
The InChIKey is KVHHSZSWVJTUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2S/c1-2-16-11-14(12-5-3-4-6-13(12)16)7-9-17(10-8-14)20(15,18)19/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide?
1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide has a molecular weight of 406.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylspiro[2H-indole-3,4'-piperidine]-1'-sulfonyl iodide is sourced from PubChem (CID 89041148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).