5-cyclopropylsulfonyl-1H-indole

C11H11NO2S — CID 67616628

IUPAC5-cyclopropylsulfonyl-1H-indole
SMILESO=S(=O)(c1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C11H11NO2S/c13-15(14,9-1-2-9)10-3-4-11-8(7-10)5-6-12-11/h3-7,9,12H,1-2H2
InChIKeyQXDMYNMLOPCNGA-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.10
Rot. Bonds2

About 5-cyclopropylsulfonyl-1H-indole

5-cyclopropylsulfonyl-1H-indole (PubChem CID 67616628) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-cyclopropylsulfonyl-1H-indole.

Molecular Properties

Compound Name5-cyclopropylsulfonyl-1H-indole
PubChem CID67616628
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-cyclopropylsulfonyl-1H-indole
SMILESO=S(=O)(c1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C11H11NO2S/c13-15(14,9-1-2-9)10-3-4-11-8(7-10)5-6-12-11/h3-7,9,12H,1-2H2
InChIKeyQXDMYNMLOPCNGA-UHFFFAOYSA-N
XLogP2.10
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-cyclopropylsulfonyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylsulfonyl-1H-indole?
The IUPAC name of 5-cyclopropylsulfonyl-1H-indole (CID 67616628) is 5-cyclopropylsulfonyl-1H-indole.
What is the SMILES notation for 5-cyclopropylsulfonyl-1H-indole?
The canonical SMILES for 5-cyclopropylsulfonyl-1H-indole is O=S(=O)(c1ccc2[nH]ccc2c1)C1CC1.
What is the InChIKey of 5-cyclopropylsulfonyl-1H-indole?
The InChIKey is QXDMYNMLOPCNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c13-15(14,9-1-2-9)10-3-4-11-8(7-10)5-6-12-11/h3-7,9,12H,1-2H2.
What are the key properties of 5-cyclopropylsulfonyl-1H-indole?
5-cyclopropylsulfonyl-1H-indole has a molecular weight of 221.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylsulfonyl-1H-indole is sourced from PubChem (CID 67616628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).