N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide

C18H28N2O2S — CID 10065618

IUPACN-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide
SMILESCC(C)CN(C)S(=O)(=O)C1C=CC2CCC3=C(CCC=C3)N2C1
InChIInChI=1S/C18H28N2O2S/c1-14(2)12-19(3)23(21,22)17-11-10-16-9-8-15-6-4-5-7-18(15)20(16)13-17/h4,6,10-11,14,16-17H,5,7-9,12-13H2,1-3H3
InChIKeyWGYLTRUTXRFTNN-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide

N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide (PubChem CID 10065618) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide
PubChem CID10065618
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide
SMILESCC(C)CN(C)S(=O)(=O)C1C=CC2CCC3=C(CCC=C3)N2C1
InChIInChI=1S/C18H28N2O2S/c1-14(2)12-19(3)23(21,22)17-11-10-16-9-8-15-6-4-5-7-18(15)20(16)13-17/h4,6,10-11,14,16-17H,5,7-9,12-13H2,1-3H3
InChIKeyWGYLTRUTXRFTNN-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 70549428
CID 70549428
CID 87755269
CID 87755269
CID 122651423
CID 122651423
CID 170101080
CID 170101080

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide (CID 10065618) is N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide is CC(C)CN(C)S(=O)(=O)C1C=CC2CCC3=C(CCC=C3)N2C1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide?
The InChIKey is WGYLTRUTXRFTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14(2)12-19(3)23(21,22)17-11-10-16-9-8-15-6-4-5-7-18(15)20(16)13-17/h4,6,10-11,14,16-17H,5,7-9,12-13H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide?
N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide has a molecular weight of 336.50 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-2,4a,5,6,9,10-hexahydro-1H-benzo[c]quinolizine-2-sulfonamide is sourced from PubChem (CID 10065618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).