2-cyclopropylsulfonyl-1,3-dihydroisoindole

C11H13NO2S — CID 122244979

IUPAC2-cyclopropylsulfonyl-1,3-dihydroisoindole
SMILESO=S(=O)(C1CC1)N1Cc2ccccc2C1
InChIInChI=1S/C11H13NO2S/c13-15(14,11-5-6-11)12-7-9-3-1-2-4-10(9)8-12/h1-4,11H,5-8H2
InChIKeyYVTUADTXBBLZJV-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.49
Rot. Bonds2

About 2-cyclopropylsulfonyl-1,3-dihydroisoindole

2-cyclopropylsulfonyl-1,3-dihydroisoindole (PubChem CID 122244979) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-1,3-dihydroisoindole
PubChem CID122244979
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-cyclopropylsulfonyl-1,3-dihydroisoindole
SMILESO=S(=O)(C1CC1)N1Cc2ccccc2C1
InChIInChI=1S/C11H13NO2S/c13-15(14,11-5-6-11)12-7-9-3-1-2-4-10(9)8-12/h1-4,11H,5-8H2
InChIKeyYVTUADTXBBLZJV-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-1,3-dihydroisoindole?
The IUPAC name of 2-cyclopropylsulfonyl-1,3-dihydroisoindole (CID 122244979) is 2-cyclopropylsulfonyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-cyclopropylsulfonyl-1,3-dihydroisoindole?
The canonical SMILES for 2-cyclopropylsulfonyl-1,3-dihydroisoindole is O=S(=O)(C1CC1)N1Cc2ccccc2C1.
What is the InChIKey of 2-cyclopropylsulfonyl-1,3-dihydroisoindole?
The InChIKey is YVTUADTXBBLZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-15(14,11-5-6-11)12-7-9-3-1-2-4-10(9)8-12/h1-4,11H,5-8H2.
What are the key properties of 2-cyclopropylsulfonyl-1,3-dihydroisoindole?
2-cyclopropylsulfonyl-1,3-dihydroisoindole has a molecular weight of 223.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-1,3-dihydroisoindole is sourced from PubChem (CID 122244979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).