5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one

C17H21FN2O4S — CID 45224354

IUPAC5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCS(=O)(=O)CC2)CN1Cc1cccc(F)c1
InChIInChI=1S/C17H21FN2O4S/c18-15-3-1-2-13(10-15)11-20-12-14(4-5-16(20)21)17(22)19-6-8-25(23,24)9-7-19/h1-3,10,14H,4-9,11-12H2
InChIKeyUPFDBSAGGGBLRN-UHFFFAOYSA-N
MW368.43 g/mol
LogP0.82
Rot. Bonds3

About 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one

5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one (PubChem CID 45224354) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one
PubChem CID45224354
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCS(=O)(=O)CC2)CN1Cc1cccc(F)c1
InChIInChI=1S/C17H21FN2O4S/c18-15-3-1-2-13(10-15)11-20-12-14(4-5-16(20)21)17(22)19-6-8-25(23,24)9-7-19/h1-3,10,14H,4-9,11-12H2
InChIKeyUPFDBSAGGGBLRN-UHFFFAOYSA-N
XLogP0.82
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one 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-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one (CID 45224354) is 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one is O=C1CCC(C(=O)N2CCS(=O)(=O)CC2)CN1Cc1cccc(F)c1.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one?
The InChIKey is UPFDBSAGGGBLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c18-15-3-1-2-13(10-15)11-20-12-14(4-5-16(20)21)17(22)19-6-8-25(23,24)9-7-19/h1-3,10,14H,4-9,11-12H2.
What are the key properties of 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one?
5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one has a molecular weight of 368.43 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[(3-fluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 45224354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).