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

C14H19FN2O3S — CID 81353473

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CC1CS(=O)(=O)CCN1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3S/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-21(19,20)6-5-16-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyZHFUQOAKYZWEBN-NKUHCKNESA-N
MW314.38 g/mol
LogP0.78
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide (PubChem CID 81353473) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
PubChem CID81353473
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CC1CS(=O)(=O)CCN1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3S/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-21(19,20)6-5-16-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyZHFUQOAKYZWEBN-NKUHCKNESA-N
XLogP0.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81353088
N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518150
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81410503
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81409100
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81409085
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940416
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 80520928
N-(2-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519948
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
CID 80520807
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518042
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 80519954

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide (CID 81353473) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide is C[C@H](NC(=O)CC1CS(=O)(=O)CCN1)c1cccc(F)c1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is ZHFUQOAKYZWEBN-NKUHCKNESA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-21(19,20)6-5-16-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 81353473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).