(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone

C12H15NO4S — CID 103955999

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCS(=O)(=O)CC2)ccc1O
InChIInChI=1S/C12H15NO4S/c1-9-8-10(2-3-11(9)14)12(15)13-4-6-18(16,17)7-5-13/h2-3,8,14H,4-7H2,1H3
InChIKeyJGODRRKQQTWDCF-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.57
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 103955999) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
PubChem CID103955999
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCS(=O)(=O)CC2)ccc1O
InChIInChI=1S/C12H15NO4S/c1-9-8-10(2-3-11(9)14)12(15)13-4-6-18(16,17)7-5-13/h2-3,8,14H,4-7H2,1H3
InChIKeyJGODRRKQQTWDCF-UHFFFAOYSA-N
XLogP0.57
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140
(3,4-dihydroxyphenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103957032
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 113434754
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79673450
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(1,1-dioxo-1,4-thiazinan-4-yl)-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 168511358
1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
CID 107676237
2-[4-(4-hydroxy-3-methylbenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 107674849

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone (CID 103955999) is (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCS(=O)(=O)CC2)ccc1O.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is JGODRRKQQTWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-9-8-10(2-3-11(9)14)12(15)13-4-6-18(16,17)7-5-13/h2-3,8,14H,4-7H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 269.32 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 103955999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).