5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C15H20N2O2S — CID 113089132

IUPAC5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCCS(=O)(=O)N1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C15H20N2O2S/c1-3-10-20(18,19)17-9-8-15-13(11-17)12-6-4-5-7-14(12)16(15)2/h4-7H,3,8-11H2,1-2H3
InChIKeyCRVYEIRBIMTVJG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.28
Rot. Bonds3

About 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 113089132) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID113089132
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCCS(=O)(=O)N1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C15H20N2O2S/c1-3-10-20(18,19)17-9-8-15-13(11-17)12-6-4-5-7-14(12)16(15)2/h4-7H,3,8-11H2,1-2H3
InChIKeyCRVYEIRBIMTVJG-UHFFFAOYSA-N
XLogP2.28
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-ylsulfonyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 113089153
2-chloro-1-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 42695028
12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene
CID 122365826
(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089107
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
5-ethyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 126571284
2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 5308283
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanesulfonamide
CID 113096702
8-fluoro-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 47071855
(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089087
8-tert-butyl-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089514
8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089353

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 113089132) is 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CCCS(=O)(=O)N1CCc2c(c3ccccc3n2C)C1.
What is the InChIKey of 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is CRVYEIRBIMTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-10-20(18,19)17-9-8-15-13(11-17)12-6-4-5-7-14(12)16(15)2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 292.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 113089132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).