(4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H14N2O3S — CID 107074951

IUPAC(4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(C(=O)N2CCS(=O)CC2)cc1O
InChIInChI=1S/C11H14N2O3S/c12-9-2-1-8(7-10(9)14)11(15)13-3-5-17(16)6-4-13/h1-2,7,14H,3-6,12H2
InChIKeyZZIUMWYQEIIMLC-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.18
Rot. Bonds1

About (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 107074951) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID107074951
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(C(=O)N2CCS(=O)CC2)cc1O
InChIInChI=1S/C11H14N2O3S/c12-9-2-1-8(7-10(9)14)11(15)13-3-5-17(16)6-4-13/h1-2,7,14H,3-6,12H2
InChIKeyZZIUMWYQEIIMLC-UHFFFAOYSA-N
XLogP0.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3-amino-4-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54976973
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
(4-amino-3-hydroxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107075598
(4-amino-3-hydroxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107075245
(2-amino-1,3-benzothiazol-6-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 65349015
methyl 2-[4-(4-amino-3-hydroxybenzoyl)piperazin-1-yl]acetate
CID 107074672
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
CID 53007694
N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 102739429
(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 107075249
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
CID 110721543

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 107074951) is (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is Nc1ccc(C(=O)N2CCS(=O)CC2)cc1O.
What is the InChIKey of (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is ZZIUMWYQEIIMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c12-9-2-1-8(7-10(9)14)11(15)13-3-5-17(16)6-4-13/h1-2,7,14H,3-6,12H2.
What are the key properties of (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 107074951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).