2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole

C13H18N2O2S — CID 62230335

IUPAC2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole
SMILESO=S(=O)(C1CCNCC1)N1Cc2ccccc2C1
InChIInChI=1S/C13H18N2O2S/c16-18(17,13-5-7-14-8-6-13)15-9-11-3-1-2-4-12(11)10-15/h1-4,13-14H,5-10H2
InChIKeyUHPJZDRIGKQLNS-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.08
Rot. Bonds2

About 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole

2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole (PubChem CID 62230335) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole
PubChem CID62230335
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole
SMILESO=S(=O)(C1CCNCC1)N1Cc2ccccc2C1
InChIInChI=1S/C13H18N2O2S/c16-18(17,13-5-7-14-8-6-13)15-9-11-3-1-2-4-12(11)10-15/h1-4,13-14H,5-10H2
InChIKeyUHPJZDRIGKQLNS-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole?
The IUPAC name of 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole (CID 62230335) is 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole?
The canonical SMILES for 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole is O=S(=O)(C1CCNCC1)N1Cc2ccccc2C1.
What is the InChIKey of 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole?
The InChIKey is UHPJZDRIGKQLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17,13-5-7-14-8-6-13)15-9-11-3-1-2-4-12(11)10-15/h1-4,13-14H,5-10H2.
What are the key properties of 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole?
2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole has a molecular weight of 266.37 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfonyl-1,3-dihydroisoindole is sourced from PubChem (CID 62230335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).