2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol

C13H19NO4S — CID 102884585

IUPAC2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
SMILESCC(O)c1ccc(N2CCS(=O)(=O)CC2C)cc1O
InChIInChI=1S/C13H19NO4S/c1-9-8-19(17,18)6-5-14(9)11-3-4-12(10(2)15)13(16)7-11/h3-4,7,9-10,15-16H,5-6,8H2,1-2H3
InChIKeySVSDOUQSFKEQCO-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.07
Rot. Bonds2

About 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol

2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol (PubChem CID 102884585) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
PubChem CID102884585
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
SMILESCC(O)c1ccc(N2CCS(=O)(=O)CC2C)cc1O
InChIInChI=1S/C13H19NO4S/c1-9-8-19(17,18)6-5-14(9)11-3-4-12(10(2)15)13(16)7-11/h3-4,7,9-10,15-16H,5-6,8H2,1-2H3
InChIKeySVSDOUQSFKEQCO-UHFFFAOYSA-N
XLogP1.07
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
CID 102883981
(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 102884577
4-(1-hydroxyethyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzonitrile
CID 102884564
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882558
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882565
1-[2-chloro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 102883913
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 102883871
(1S)-1-[3-fluoro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 102884592
2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
CID 79603318
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 79603236
5-(2-ethylpiperidin-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603663
5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603067

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol (CID 102884585) is 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol is CC(O)c1ccc(N2CCS(=O)(=O)CC2C)cc1O.
What is the InChIKey of 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol?
The InChIKey is SVSDOUQSFKEQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-9-8-19(17,18)6-5-14(9)11-3-4-12(10(2)15)13(16)7-11/h3-4,7,9-10,15-16H,5-6,8H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol?
2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol has a molecular weight of 285.36 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol is sourced from PubChem (CID 102884585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).