5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C13H16N2O2S — CID 141155328

IUPAC5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCCS(=O)(=O)n1c2c(c3ccccc31)CNCC2
InChIInChI=1S/C13H16N2O2S/c1-2-18(16,17)15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15/h3-6,14H,2,7-9H2,1H3
InChIKeyWZFXAYSALDRZEZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.48
Rot. Bonds2

About 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 141155328) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID141155328
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCCS(=O)(=O)n1c2c(c3ccccc31)CNCC2
InChIInChI=1S/C13H16N2O2S/c1-2-18(16,17)15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15/h3-6,14H,2,7-9H2,1H3
InChIKeyWZFXAYSALDRZEZ-UHFFFAOYSA-N
XLogP1.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 141155328) is 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is CCS(=O)(=O)n1c2c(c3ccccc31)CNCC2.
What is the InChIKey of 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is WZFXAYSALDRZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-18(16,17)15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15/h3-6,14H,2,7-9H2,1H3.
What are the key properties of 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 264.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 141155328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).