5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C14H19FN4O4S — CID 169119808

IUPAC5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc(CN[C@@H]3CCCNC3)cc2F)S(=O)(=O)N1
InChIInChI=1S/C14H19FN4O4S/c15-11-4-9(6-17-10-2-1-3-16-7-10)5-12(20)14(11)19-8-13(21)18-24(19,22)23/h4-5,10,16-17,20H,1-3,6-8H2,(H,18,21)/t10-/m1/s1
InChIKeyDTLULFJGURHDCM-SNVBAGLBSA-N
MW358.40 g/mol
LogP-0.45
Rot. Bonds4

About 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 169119808) has the molecular formula C14H19FN4O4S and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID169119808
Molecular FormulaC14H19FN4O4S
Molecular Weight358.40 g/mol
Exact Mass358.11
IUPAC Name5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc(CN[C@@H]3CCCNC3)cc2F)S(=O)(=O)N1
InChIInChI=1S/C14H19FN4O4S/c15-11-4-9(6-17-10-2-1-3-16-7-10)5-12(20)14(11)19-8-13(21)18-24(19,22)23/h4-5,10,16-17,20H,1-3,6-8H2,(H,18,21)/t10-/m1/s1
InChIKeyDTLULFJGURHDCM-SNVBAGLBSA-N
XLogP-0.45
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 169119808) is 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)cc(CN[C@@H]3CCCNC3)cc2F)S(=O)(=O)N1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is DTLULFJGURHDCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FN4O4S/c15-11-4-9(6-17-10-2-1-3-16-7-10)5-12(20)14(11)19-8-13(21)18-24(19,22)23/h4-5,10,16-17,20H,1-3,6-8H2,(H,18,21)/t10-/m1/s1.
What are the key properties of 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 358.40 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-4-[[[(3R)-piperidin-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 169119808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).