(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H12F2N2O3S — CID 79773364

IUPAC(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCS(=O)(=O)CC2)c1F
InChIInChI=1S/C11H12F2N2O3S/c12-7-1-2-8(14)10(13)9(7)11(16)15-3-5-19(17,18)6-4-15/h1-2H,3-6,14H2
InChIKeyCMLQJPHDZKUIEM-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.42
Rot. Bonds1

About (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 79773364) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID79773364
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCS(=O)(=O)CC2)c1F
InChIInChI=1S/C11H12F2N2O3S/c12-7-1-2-8(14)10(13)9(7)11(16)15-3-5-19(17,18)6-4-15/h1-2H,3-6,14H2
InChIKeyCMLQJPHDZKUIEM-UHFFFAOYSA-N
XLogP0.42
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.42
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

(3-amino-2,6-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 79767871
(3-amino-2,6-difluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 79772864
(3-amino-2,6-difluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 79773430
(3-amino-2,6-difluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 79772968
(2-bromo-6-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113251014
(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 79773812
(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 79759552
4-(3-amino-2,6-difluorobenzoyl)piperazine-2,6-dione
CID 79772834
(4-methylpiperazin-1-yl)-(2,3,6-trifluorophenyl)methanone
CID 171368041
4-(3-amino-2,6-difluorobenzoyl)-1-methylpiperazin-2-one
CID 79773177
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 79773364) is (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Nc1ccc(F)c(C(=O)N2CCS(=O)(=O)CC2)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is CMLQJPHDZKUIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c12-7-1-2-8(14)10(13)9(7)11(16)15-3-5-19(17,18)6-4-15/h1-2H,3-6,14H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 290.29 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 79773364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).