N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide

C15H19N5O3S — CID 23624262

IUPACN-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide
SMILESCCCc1nc(C)c2c(NS(C)(=O)=O)nc3ccc(OC)nc3n12
InChIInChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19)
InChIKeyWYHTXPAKFZNNJB-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.92
Rot. Bonds5

About N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide

N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide (PubChem CID 23624262) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide
PubChem CID23624262
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide
SMILESCCCc1nc(C)c2c(NS(C)(=O)=O)nc3ccc(OC)nc3n12
InChIInChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19)
InChIKeyWYHTXPAKFZNNJB-UHFFFAOYSA-N
XLogP1.92
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide?
The IUPAC name of N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide (CID 23624262) is N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide.
What is the SMILES notation for N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide?
The canonical SMILES for N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide is CCCc1nc(C)c2c(NS(C)(=O)=O)nc3ccc(OC)nc3n12.
What is the InChIKey of N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide?
The InChIKey is WYHTXPAKFZNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19).
What are the key properties of N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide?
N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide is sourced from PubChem (CID 23624262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).