methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C22H25FN4O6S — CID 68943943

IUPACmethyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NCC1CN(c2ccc(-c3cnc(N4CCS(=O)(=O)CC4)c(C)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O6S/c1-14-9-15(11-24-20(14)26-5-7-34(30,31)8-6-26)18-4-3-16(10-19(18)23)27-13-17(33-22(27)29)12-25-21(28)32-2/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,28)
InChIKeyMDXQLLWKSKCKQL-UHFFFAOYSA-N
MW492.53 g/mol
LogP2.11
Rot. Bonds5

About methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 68943943) has the molecular formula C22H25FN4O6S and a molecular weight of 492.53 g/mol. Its IUPAC name is methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID68943943
Molecular FormulaC22H25FN4O6S
Molecular Weight492.53 g/mol
Exact Mass492.15
IUPAC Namemethyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NCC1CN(c2ccc(-c3cnc(N4CCS(=O)(=O)CC4)c(C)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H25FN4O6S/c1-14-9-15(11-24-20(14)26-5-7-34(30,31)8-6-26)18-4-3-16(10-19(18)23)27-13-17(33-22(27)29)12-25-21(28)32-2/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,28)
InChIKeyMDXQLLWKSKCKQL-UHFFFAOYSA-N
XLogP2.11
TPSA118.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 68943943) is methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NCC1CN(c2ccc(-c3cnc(N4CCS(=O)(=O)CC4)c(C)c3)c(F)c2)C(=O)O1.
What is the InChIKey of methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is MDXQLLWKSKCKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O6S/c1-14-9-15(11-24-20(14)26-5-7-34(30,31)8-6-26)18-4-3-16(10-19(18)23)27-13-17(33-22(27)29)12-25-21(28)32-2/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,28).
What are the key properties of methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 492.53 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 68943943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).