(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C18H20N2O3S — CID 166211961

IUPAC(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1cccc(Nc2ccccc2)c1
InChIInChI=1S/C18H20N2O3S/c1-14-13-24(22,23)11-10-20(14)18(21)15-6-5-9-17(12-15)19-16-7-3-2-4-8-16/h2-9,12,14,19H,10-11,13H2,1H3
InChIKeyCGZWNUJIZQZHBR-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.69
Rot. Bonds3

About (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 166211961) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID166211961
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1cccc(Nc2ccccc2)c1
InChIInChI=1S/C18H20N2O3S/c1-14-13-24(22,23)11-10-20(14)18(21)15-6-5-9-17(12-15)19-16-7-3-2-4-8-16/h2-9,12,14,19H,10-11,13H2,1H3
InChIKeyCGZWNUJIZQZHBR-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 166211961) is (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1CS(=O)(=O)CCN1C(=O)c1cccc(Nc2ccccc2)c1.
What is the InChIKey of (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is CGZWNUJIZQZHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14-13-24(22,23)11-10-20(14)18(21)15-6-5-9-17(12-15)19-16-7-3-2-4-8-16/h2-9,12,14,19H,10-11,13H2,1H3.
What are the key properties of (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 344.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 166211961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).