(3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C12H15ClN2O3S — CID 102882287

IUPAC(3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C12H15ClN2O3S/c1-8-7-19(17,18)6-5-15(8)12(16)9-3-2-4-10(14)11(9)13/h2-4,8H,5-7,14H2,1H3
InChIKeySGPLKTWIDKQFGY-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.18
Rot. Bonds1

About (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

(3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 102882287) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID102882287
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name(3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C12H15ClN2O3S/c1-8-7-19(17,18)6-5-15(8)12(16)9-3-2-4-10(14)11(9)13/h2-4,8H,5-7,14H2,1H3
InChIKeySGPLKTWIDKQFGY-UHFFFAOYSA-N
XLogP1.18
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.18
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

(2-amino-3-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882245
(2-amino-3-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883333
(2-chloro-5-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 106502246
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
[2-fluoro-3-(trifluoromethyl)phenyl]-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 96559090
(5-amino-2-bromophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882272
(5-amino-2-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882268
[2-(3-aminoprop-1-ynyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102885722
(5-amino-1H-pyrazol-4-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102885522
(3-amino-2-chlorophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966919
(4-amino-3-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882172
(2,4-dibromophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103882913

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 102882287) is (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1CS(=O)(=O)CCN1C(=O)c1cccc(N)c1Cl.
What is the InChIKey of (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is SGPLKTWIDKQFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-8-7-19(17,18)6-5-15(8)12(16)9-3-2-4-10(14)11(9)13/h2-4,8H,5-7,14H2,1H3.
What are the key properties of (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 302.78 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 102882287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).