1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine

C24H30N4O2S — CID 24733806

IUPAC1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine
SMILESCc1ccc2c(c1)S(=O)(=O)N=C(CN(C1CC1)C1CCN(Cc3ccccc3)CC1)N2
InChIInChI=1S/C24H30N4O2S/c1-18-7-10-22-23(15-18)31(29,30)26-24(25-22)17-28(20-8-9-20)21-11-13-27(14-12-21)16-19-5-3-2-4-6-19/h2-7,10,15,20-21H,8-9,11-14,16-17H2,1H3,(H,25,26)
InChIKeyUXBHNEJGNLFKQW-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.64
Rot. Bonds6

About 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine

1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine (PubChem CID 24733806) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine
PubChem CID24733806
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine
SMILESCc1ccc2c(c1)S(=O)(=O)N=C(CN(C1CC1)C1CCN(Cc3ccccc3)CC1)N2
InChIInChI=1S/C24H30N4O2S/c1-18-7-10-22-23(15-18)31(29,30)26-24(25-22)17-28(20-8-9-20)21-11-13-27(14-12-21)16-19-5-3-2-4-6-19/h2-7,10,15,20-21H,8-9,11-14,16-17H2,1H3,(H,25,26)
InChIKeyUXBHNEJGNLFKQW-UHFFFAOYSA-N
XLogP3.64
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine (CID 24733806) is 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine is Cc1ccc2c(c1)S(=O)(=O)N=C(CN(C1CC1)C1CCN(Cc3ccccc3)CC1)N2.
What is the InChIKey of 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine?
The InChIKey is UXBHNEJGNLFKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-18-7-10-22-23(15-18)31(29,30)26-24(25-22)17-28(20-8-9-20)21-11-13-27(14-12-21)16-19-5-3-2-4-6-19/h2-7,10,15,20-21H,8-9,11-14,16-17H2,1H3,(H,25,26).
What are the key properties of 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine?
1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine has a molecular weight of 438.60 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-N-[(7-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 24733806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).