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

C15H20N2O3S — CID 102883345

IUPAC(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-11-10-21(19,20)7-6-17(11)15(18)14-9-16-8-12-4-2-3-5-13(12)14/h2-5,11,14,16H,6-10H2,1H3
InChIKeyFIEOKXULBPPBIA-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.52
Rot. Bonds1

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

(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (PubChem CID 102883345) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
PubChem CID102883345
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-11-10-21(19,20)7-6-17(11)15(18)14-9-16-8-12-4-2-3-5-13(12)14/h2-5,11,14,16H,6-10H2,1H3
InChIKeyFIEOKXULBPPBIA-UHFFFAOYSA-N
XLogP0.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone with MolForge

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260608
3-methyl-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102780440
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262533
piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260359
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584257
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260455
(4-benzylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 113241095
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 114678463
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262597
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-piperazin-2-ylmethanone
CID 102883594
3-ethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)pentan-1-one
CID 116573420
(1-oxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262107

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (CID 102883345) is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.
What is the SMILES notation for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The canonical SMILES for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is CC1CS(=O)(=O)CCN1C(=O)C1CNCc2ccccc21.
What is the InChIKey of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The InChIKey is FIEOKXULBPPBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-10-21(19,20)7-6-17(11)15(18)14-9-16-8-12-4-2-3-5-13(12)14/h2-5,11,14,16H,6-10H2,1H3.
What are the key properties of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone has a molecular weight of 308.40 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is sourced from PubChem (CID 102883345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).