N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide

C15H17FN4O6S — CID 138377646

IUPACN-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide
SMILESO=C(CN1CCOC1=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cncc(F)c1
InChIInChI=1S/C15H17FN4O6S/c16-10-3-9(4-17-5-10)14(22)19-12-8-27(24,25)7-11(12)18-13(21)6-20-1-2-26-15(20)23/h3-5,11-12H,1-2,6-8H2,(H,18,21)(H,19,22)/t11-,12-/m1/s1
InChIKeyQSXZTEPWXWFYGF-VXGBXAGGSA-N
MW400.39 g/mol
LogP-1.32
Rot. Bonds5

About N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide

N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide (PubChem CID 138377646) has the molecular formula C15H17FN4O6S and a molecular weight of 400.39 g/mol. Its IUPAC name is N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide
PubChem CID138377646
Molecular FormulaC15H17FN4O6S
Molecular Weight400.39 g/mol
Exact Mass400.09
IUPAC NameN-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide
SMILESO=C(CN1CCOC1=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cncc(F)c1
InChIInChI=1S/C15H17FN4O6S/c16-10-3-9(4-17-5-10)14(22)19-12-8-27(24,25)7-11(12)18-13(21)6-20-1-2-26-15(20)23/h3-5,11-12H,1-2,6-8H2,(H,18,21)(H,19,22)/t11-,12-/m1/s1
InChIKeyQSXZTEPWXWFYGF-VXGBXAGGSA-N
XLogP-1.32
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide (CID 138377646) is N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide is O=C(CN1CCOC1=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cncc(F)c1.
What is the InChIKey of N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide?
The InChIKey is QSXZTEPWXWFYGF-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H17FN4O6S/c16-10-3-9(4-17-5-10)14(22)19-12-8-27(24,25)7-11(12)18-13(21)6-20-1-2-26-15(20)23/h3-5,11-12H,1-2,6-8H2,(H,18,21)(H,19,22)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide?
N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide has a molecular weight of 400.39 g/mol, XLogP of -1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,1-dioxo-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]thiolan-3-yl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 138377646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).