2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C17H25FN2O3S — CID 126808655

IUPAC2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCS(=O)(=O)CC1(C)C
InChIInChI=1S/C17H25FN2O3S/c1-4-19(11-14-6-5-7-15(18)10-14)16(21)12-20-8-9-24(22,23)13-17(20,2)3/h5-7,10H,4,8-9,11-13H2,1-3H3
InChIKeyAOPAHFMUNRDOPM-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.68
Rot. Bonds5

About 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 126808655) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID126808655
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCS(=O)(=O)CC1(C)C
InChIInChI=1S/C17H25FN2O3S/c1-4-19(11-14-6-5-7-15(18)10-14)16(21)12-20-8-9-24(22,23)13-17(20,2)3/h5-7,10H,4,8-9,11-13H2,1-3H3
InChIKeyAOPAHFMUNRDOPM-UHFFFAOYSA-N
XLogP1.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 126808655) is 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)CN1CCS(=O)(=O)CC1(C)C.
What is the InChIKey of 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is AOPAHFMUNRDOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-4-19(11-14-6-5-7-15(18)10-14)16(21)12-20-8-9-24(22,23)13-17(20,2)3/h5-7,10H,4,8-9,11-13H2,1-3H3.
What are the key properties of 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 356.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 126808655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).