5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole

C12H16N2O2S — CID 7064088

IUPAC5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole
SMILESO=S(=O)(c1ccc2c(c1)CCN2)N1CCCC1
InChIInChI=1S/C12H16N2O2S/c15-17(16,14-7-1-2-8-14)11-3-4-12-10(9-11)5-6-13-12/h3-4,9,13H,1-2,5-8H2
InChIKeyWSDYMOFKGXULNK-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.44
Rot. Bonds2

About 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole

5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole (PubChem CID 7064088) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole
PubChem CID7064088
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole
SMILESO=S(=O)(c1ccc2c(c1)CCN2)N1CCCC1
InChIInChI=1S/C12H16N2O2S/c15-17(16,14-7-1-2-8-14)11-3-4-12-10(9-11)5-6-13-12/h3-4,9,13H,1-2,5-8H2
InChIKeyWSDYMOFKGXULNK-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-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-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole (CID 7064088) is 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole is O=S(=O)(c1ccc2c(c1)CCN2)N1CCCC1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole?
The InChIKey is WSDYMOFKGXULNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-17(16,14-7-1-2-8-14)11-3-4-12-10(9-11)5-6-13-12/h3-4,9,13H,1-2,5-8H2.
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole?
5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole has a molecular weight of 252.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 7064088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).