8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C19H25N3O4S — CID 70753899

IUPAC8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)C3Cc4ccccc4S(=O)(=O)N3)CC2)CC1=O
InChIInChI=1S/C19H25N3O4S/c1-2-21-13-19(12-17(21)23)7-9-22(10-8-19)18(24)15-11-14-5-3-4-6-16(14)27(25,26)20-15/h3-6,15,20H,2,7-13H2,1H3
InChIKeyJTHUGSUIXNFPSI-UHFFFAOYSA-N
MW391.49 g/mol
LogP0.75
Rot. Bonds2

About 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70753899) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70753899
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)C3Cc4ccccc4S(=O)(=O)N3)CC2)CC1=O
InChIInChI=1S/C19H25N3O4S/c1-2-21-13-19(12-17(21)23)7-9-22(10-8-19)18(24)15-11-14-5-3-4-6-16(14)27(25,26)20-15/h3-6,15,20H,2,7-13H2,1H3
InChIKeyJTHUGSUIXNFPSI-UHFFFAOYSA-N
XLogP0.75
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

8-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 95885398
8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72847937
(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
CID 97286093
(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70759660
[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 95884982
(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazin-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 77084129
2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 134079677
2-ethyl-8-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70704944
2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97277244
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72918682

Frequently Asked Questions

What is the IUPAC name of 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 70753899) is 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)C3Cc4ccccc4S(=O)(=O)N3)CC2)CC1=O.
What is the InChIKey of 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is JTHUGSUIXNFPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-2-21-13-19(12-17(21)23)7-9-22(10-8-19)18(24)15-11-14-5-3-4-6-16(14)27(25,26)20-15/h3-6,15,20H,2,7-13H2,1H3.
What are the key properties of 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 391.49 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70753899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).