8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C15H20N2O3S — CID 113089353

IUPAC8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCCCS(=O)(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1
InChIInChI=1S/C15H20N2O3S/c1-3-8-21(18,19)17-7-6-15-13(10-17)12-9-11(20-2)4-5-14(12)16-15/h4-5,9,16H,3,6-8,10H2,1-2H3
InChIKeyPFKXUGGFLOZUTN-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.27
Rot. Bonds4

About 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 113089353) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID113089353
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCCCS(=O)(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1
InChIInChI=1S/C15H20N2O3S/c1-3-8-21(18,19)17-7-6-15-13(10-17)12-9-11(20-2)4-5-14(12)16-15/h4-5,9,16H,3,6-8,10H2,1-2H3
InChIKeyPFKXUGGFLOZUTN-UHFFFAOYSA-N
XLogP2.27
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 47071855
2-butylsulfonyl-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090234
8-tert-butyl-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089514
2-butylsulfonyl-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089291
8-methoxy-2-(5-methylthiophen-2-yl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089370
2-butylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081876
2-(2,4-dimethylphenyl)sulfonyl-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089358
6-fluoro-2-propylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090120
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
5-[(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 113089377
2-(2-phenylethylsulfonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081896
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide
CID 113097088

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 113089353) is 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is CCCS(=O)(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1.
What is the InChIKey of 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is PFKXUGGFLOZUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-8-21(18,19)17-7-6-15-13(10-17)12-9-11(20-2)4-5-14(12)16-15/h4-5,9,16H,3,6-8,10H2,1-2H3.
What are the key properties of 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 308.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 113089353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).