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

C13H18N2O2S — CID 7064084

IUPAC5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole
SMILESO=S(=O)(c1ccc2c(c1)CCN2)N1CCCCC1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-8-2-1-3-9-15)12-4-5-13-11(10-12)6-7-14-13/h4-5,10,14H,1-3,6-9H2
InChIKeySKYMJLWQEUNATH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.83
Rot. Bonds2

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

5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole (PubChem CID 7064084) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole
PubChem CID7064084
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole
SMILESO=S(=O)(c1ccc2c(c1)CCN2)N1CCCCC1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-8-2-1-3-9-15)12-4-5-13-11(10-12)6-7-14-13/h4-5,10,14H,1-3,6-9H2
InChIKeySKYMJLWQEUNATH-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole (CID 7064084) is 5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole is O=S(=O)(c1ccc2c(c1)CCN2)N1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole?
The InChIKey is SKYMJLWQEUNATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17,15-8-2-1-3-9-15)12-4-5-13-11(10-12)6-7-14-13/h4-5,10,14H,1-3,6-9H2.
What are the key properties of 5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole?
5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole has a molecular weight of 266.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 7064084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).