1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone

C16H20N2O2S — CID 110742076

IUPAC1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCSc3ccccc32)CC1
InChIInChI=1S/C16H20N2O2S/c1-12(19)17-8-6-13(7-9-17)16(20)18-10-11-21-15-5-3-2-4-14(15)18/h2-5,13H,6-11H2,1H3
InChIKeyRIZPJMVMNFTIQE-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.38
Rot. Bonds1

About 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone

1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110742076) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID110742076
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCSc3ccccc32)CC1
InChIInChI=1S/C16H20N2O2S/c1-12(19)17-8-6-13(7-9-17)16(20)18-10-11-21-15-5-3-2-4-14(15)18/h2-5,13H,6-11H2,1H3
InChIKeyRIZPJMVMNFTIQE-UHFFFAOYSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 110742540
(2-aminocyclopentyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 64823254
1-(2,3,4,5-tetrahydro-1,6-benzothiazocin-6-yl)ethanone
CID 10353467
methyl 2-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]sulfonylbenzoate
CID 55342506
2,3-dihydro-1,4-benzothiazin-4-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone
CID 55413240
[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 95627046
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 95235125
2,3-dihydro-1,4-benzothiazin-4-yl-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 51272537
2,3-dihydro-1,4-benzothiazin-4-yl-(4-methylpyrrolidin-3-yl)methanone
CID 55229013
N-[(2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidine-4-carboxamide
CID 20886267
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
(1-amino-3-methylcyclohexyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 64553388

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone (CID 110742076) is 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCSc3ccccc32)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is RIZPJMVMNFTIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(19)17-8-6-13(7-9-17)16(20)18-10-11-21-15-5-3-2-4-14(15)18/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone?
1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 304.41 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110742076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).