3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

C10H16F3NO4S — CID 58283305

IUPAC3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESO=C(CCN1CCS(=O)(=O)CC1)OCCC(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)2-6-18-9(15)1-3-14-4-7-19(16,17)8-5-14/h1-8H2
InChIKeyNMFWSATUYKTMJP-UHFFFAOYSA-N
MW303.30 g/mol
LogP0.60
Rot. Bonds5

About 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (PubChem CID 58283305) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
PubChem CID58283305
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESO=C(CCN1CCS(=O)(=O)CC1)OCCC(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)2-6-18-9(15)1-3-14-4-7-19(16,17)8-5-14/h1-8H2
InChIKeyNMFWSATUYKTMJP-UHFFFAOYSA-N
XLogP0.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283094
3,3,4,4,4-Pentafluorobutyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283140
2-(1,1-Dioxo-1,4-thiazinan-4-yl)ethyl 3,3,3-trifluoropropanoate
CID 58283231
2,2,2-Trifluoroethyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283276
3,3,5,5,5-Pentafluoropentyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283295
2-(1,1-Dioxo-1,4-thiazinan-4-yl)ethyl 2,2,2-trifluoroacetate
CID 58283316
2,2,3,3,4,4,5,5,5-Nonafluoropentyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 88935344
2,2,3,3,4,4,4-Heptafluorobutyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 88935345
2,2,3,3,3-Pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 88935346
2-[1,1-Dioxo-4-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-thiazinan-3-yl]acetic acid
CID 80516333
Ethyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 43581653
Methyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 43581660

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The IUPAC name of 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (CID 58283305) is 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.
What is the SMILES notation for 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The canonical SMILES for 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is O=C(CCN1CCS(=O)(=O)CC1)OCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The InChIKey is NMFWSATUYKTMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c11-10(12,13)2-6-18-9(15)1-3-14-4-7-19(16,17)8-5-14/h1-8H2.
What are the key properties of 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate has a molecular weight of 303.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is sourced from PubChem (CID 58283305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).