methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate

C8H15NO5S — CID 154680439

IUPACmethyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO5S/c1-14-8(11)7(6-10)9-2-4-15(12,13)5-3-9/h7,10H,2-6H2,1H3
InChIKeyUXROAVOLSCYVON-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.75
Rot. Bonds3

About methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate

methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate (PubChem CID 154680439) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate
PubChem CID154680439
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Namemethyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H15NO5S/c1-14-8(11)7(6-10)9-2-4-15(12,13)5-3-9/h7,10H,2-6H2,1H3
InChIKeyUXROAVOLSCYVON-UHFFFAOYSA-N
XLogP-1.75
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate (CID 154680439) is methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate is COC(=O)C(CO)N1CCS(=O)(=O)CC1.
What is the InChIKey of methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate?
The InChIKey is UXROAVOLSCYVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-14-8(11)7(6-10)9-2-4-15(12,13)5-3-9/h7,10H,2-6H2,1H3.
What are the key properties of methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate?
methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate has a molecular weight of 237.28 g/mol, XLogP of -1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxypropanoate is sourced from PubChem (CID 154680439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).