10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one

C12H11NO2S2 — CID 53317515

IUPAC10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one
SMILESO=C1NCCCSc2c1sc1ccc(O)cc21
InChIInChI=1S/C12H11NO2S2/c14-7-2-3-9-8(6-7)10-11(17-9)12(15)13-4-1-5-16-10/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyZUYALLZMSFUHFE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.83
Rot. Bonds

About 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one

10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one (PubChem CID 53317515) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one.

Molecular Properties

Compound Name10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one
PubChem CID53317515
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one
SMILESO=C1NCCCSc2c1sc1ccc(O)cc21
InChIInChI=1S/C12H11NO2S2/c14-7-2-3-9-8(6-7)10-11(17-9)12(15)13-4-1-5-16-10/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyZUYALLZMSFUHFE-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one?
The IUPAC name of 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one (CID 53317515) is 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one.
What is the SMILES notation for 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one?
The canonical SMILES for 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one is O=C1NCCCSc2c1sc1ccc(O)cc21.
What is the InChIKey of 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one?
The InChIKey is ZUYALLZMSFUHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c14-7-2-3-9-8(6-7)10-11(17-9)12(15)13-4-1-5-16-10/h2-3,6,14H,1,4-5H2,(H,13,15).
What are the key properties of 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one?
10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-2,3,4,5-tetrahydro-[1]benzothiolo[3,2-b][1,5]thiazocin-6-one is sourced from PubChem (CID 53317515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).