5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide

C24H24FN3O3S — CID 177268881

IUPAC5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide
SMILESCc1ccc(N2CCS(=O)(=O)CC2)cc1C(=O)NC1(c2ccc(F)c3ncccc23)CC1
InChIInChI=1S/C24H24FN3O3S/c1-16-4-5-17(28-11-13-32(30,31)14-12-28)15-19(16)23(29)27-24(8-9-24)20-6-7-21(25)22-18(20)3-2-10-26-22/h2-7,10,15H,8-9,11-14H2,1H3,(H,27,29)
InChIKeyDHPXRBVXVKQJGO-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.34
Rot. Bonds4

About 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide

5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide (PubChem CID 177268881) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide
PubChem CID177268881
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide
SMILESCc1ccc(N2CCS(=O)(=O)CC2)cc1C(=O)NC1(c2ccc(F)c3ncccc23)CC1
InChIInChI=1S/C24H24FN3O3S/c1-16-4-5-17(28-11-13-32(30,31)14-12-28)15-19(16)23(29)27-24(8-9-24)20-6-7-21(25)22-18(20)3-2-10-26-22/h2-7,10,15H,8-9,11-14H2,1H3,(H,27,29)
InChIKeyDHPXRBVXVKQJGO-UHFFFAOYSA-N
XLogP3.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide 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 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide (CID 177268881) is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide is Cc1ccc(N2CCS(=O)(=O)CC2)cc1C(=O)NC1(c2ccc(F)c3ncccc23)CC1.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide?
The InChIKey is DHPXRBVXVKQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-16-4-5-17(28-11-13-32(30,31)14-12-28)15-19(16)23(29)27-24(8-9-24)20-6-7-21(25)22-18(20)3-2-10-26-22/h2-7,10,15H,8-9,11-14H2,1H3,(H,27,29).
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide?
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide has a molecular weight of 453.54 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide is sourced from PubChem (CID 177268881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).