2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide

C14H19FN2O4S — CID 60506751

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)NCCOc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O4S/c15-12-1-3-13(4-2-12)21-8-5-16-14(18)11-17-6-9-22(19,20)10-7-17/h1-4H,5-11H2,(H,16,18)
InChIKeyZHQJCXPESUWWHW-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.05
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide (PubChem CID 60506751) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
PubChem CID60506751
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)NCCOc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O4S/c15-12-1-3-13(4-2-12)21-8-5-16-14(18)11-17-6-9-22(19,20)10-7-17/h1-4H,5-11H2,(H,16,18)
InChIKeyZHQJCXPESUWWHW-UHFFFAOYSA-N
XLogP0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 55831285
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(4-fluorophenyl)propan-2-one
CID 43797036
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51080554
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908123
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
N-[2-(4-fluorophenoxy)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756694
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908348
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 32643845

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide (CID 60506751) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide is O=C(CN1CCS(=O)(=O)CC1)NCCOc1ccc(F)cc1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
The InChIKey is ZHQJCXPESUWWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c15-12-1-3-13(4-2-12)21-8-5-16-14(18)11-17-6-9-22(19,20)10-7-17/h1-4H,5-11H2,(H,16,18).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide is sourced from PubChem (CID 60506751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).