N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide

C13H20N2O3S — CID 59831493

IUPACN-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
SMILESCOc1cc2c(cc1NS(C)(=O)=O)CCN(C)CC2
InChIInChI=1S/C13H20N2O3S/c1-15-6-4-10-8-12(14-19(3,16)17)13(18-2)9-11(10)5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyRRMSHTQMIUHMBO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.10
Rot. Bonds3

About N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide

N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide (PubChem CID 59831493) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
PubChem CID59831493
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
SMILESCOc1cc2c(cc1NS(C)(=O)=O)CCN(C)CC2
InChIInChI=1S/C13H20N2O3S/c1-15-6-4-10-8-12(14-19(3,16)17)13(18-2)9-11(10)5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyRRMSHTQMIUHMBO-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide?
The IUPAC name of N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide (CID 59831493) is N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide.
What is the SMILES notation for N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide?
The canonical SMILES for N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide is COc1cc2c(cc1NS(C)(=O)=O)CCN(C)CC2.
What is the InChIKey of N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide?
The InChIKey is RRMSHTQMIUHMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-15-6-4-10-8-12(14-19(3,16)17)13(18-2)9-11(10)5-7-15/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide?
N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide is sourced from PubChem (CID 59831493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).