4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol

C10H11NO3S — CID 23427780

IUPAC4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol
SMILESO=S1(=O)CCNC=C1c1ccc(O)cc1
InChIInChI=1S/C10H11NO3S/c12-9-3-1-8(2-4-9)10-7-11-5-6-15(10,13)14/h1-4,7,11-12H,5-6H2
InChIKeyGUVLNFNFGNJCPX-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.71
Rot. Bonds1

About 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol

4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol (PubChem CID 23427780) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol.

Molecular Properties

Compound Name4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol
PubChem CID23427780
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol
SMILESO=S1(=O)CCNC=C1c1ccc(O)cc1
InChIInChI=1S/C10H11NO3S/c12-9-3-1-8(2-4-9)10-7-11-5-6-15(10,13)14/h1-4,7,11-12H,5-6H2
InChIKeyGUVLNFNFGNJCPX-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol?
The IUPAC name of 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol (CID 23427780) is 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol.
What is the SMILES notation for 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol?
The canonical SMILES for 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol is O=S1(=O)CCNC=C1c1ccc(O)cc1.
What is the InChIKey of 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol?
The InChIKey is GUVLNFNFGNJCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9-3-1-8(2-4-9)10-7-11-5-6-15(10,13)14/h1-4,7,11-12H,5-6H2.
What are the key properties of 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol?
4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol has a molecular weight of 225.27 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-3,4-dihydro-2H-1,4-thiazin-6-yl)phenol is sourced from PubChem (CID 23427780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).