5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

C19H22N2O2S — CID 2999211

IUPAC5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-14-8-9-18-16(12-14)17-13-20(2)11-10-19(17)21(18)24(22,23)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3
InChIKeySUDDQQYSRNYGRX-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.99
Rot. Bonds2

About 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole

5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 2999211) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID2999211
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)C1CN(C)CCC1N2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-14-8-9-18-16(12-14)17-13-20(2)11-10-19(17)21(18)24(22,23)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3
InChIKeySUDDQQYSRNYGRX-UHFFFAOYSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole (CID 2999211) is 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)C1CN(C)CCC1N2S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is SUDDQQYSRNYGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-8-9-18-16(12-14)17-13-20(2)11-10-19(17)21(18)24(22,23)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole?
5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 342.46 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 2999211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).