(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H14N2O3S — CID 43581074

IUPAC(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C11H14N2O3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8,12H2
InChIKeyONCSBFUOVPAXEN-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.14
Rot. Bonds1

About (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 43581074) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID43581074
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C11H14N2O3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8,12H2
InChIKeyONCSBFUOVPAXEN-UHFFFAOYSA-N
XLogP0.14
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581076
[4-(3-aminoprop-1-ynyl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 60822516
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
[3-amino-4-(dimethylamino)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 61094890
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 113434754
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103955999
(2-amino-1,3-benzothiazol-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 65349242
(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270
(3,4-dihydroxyphenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103957032

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 43581074) is (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is ONCSBFUOVPAXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8,12H2.
What are the key properties of (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 43581074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).