1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide

C19H27N3O2S — CID 4081

IUPAC1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide
SMILESCN1CC(CS(=O)(=O)N(C)C)CC2c3cccc4c3c(cn4C)CC21
InChIInChI=1S/C19H27N3O2S/c1-20(2)25(23,24)12-13-8-16-15-6-5-7-17-19(15)14(11-22(17)4)9-18(16)21(3)10-13/h5-7,11,13,16,18H,8-10,12H2,1-4H3
InChIKeyWYCMFCPHWDZHMR-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.03
Rot. Bonds3

About 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide

1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide (PubChem CID 4081) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide
PubChem CID4081
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide
SMILESCN1CC(CS(=O)(=O)N(C)C)CC2c3cccc4c3c(cn4C)CC21
InChIInChI=1S/C19H27N3O2S/c1-20(2)25(23,24)12-13-8-16-15-6-5-7-17-19(15)14(11-22(17)4)9-18(16)21(3)10-13/h5-7,11,13,16,18H,8-10,12H2,1-4H3
InChIKeyWYCMFCPHWDZHMR-UHFFFAOYSA-N
XLogP2.03
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide (CID 4081) is 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide is CN1CC(CS(=O)(=O)N(C)C)CC2c3cccc4c3c(cn4C)CC21.
What is the InChIKey of 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide?
The InChIKey is WYCMFCPHWDZHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-20(2)25(23,24)12-13-8-16-15-6-5-7-17-19(15)14(11-22(17)4)9-18(16)21(3)10-13/h5-7,11,13,16,18H,8-10,12H2,1-4H3.
What are the key properties of 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide?
1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 4081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).