N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide

C19H24N4O4S2 — CID 95766996

IUPACN-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1
InChIInChI=1S/C19H24N4O4S2/c1-2-4-17(24)20-14-5-3-8-22(12-14)18(25)13-6-7-15-16(11-13)28-19-21-29(26,27)10-9-23(15)19/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyYKYITWJETCCBSL-CQSZACIVSA-N
MW436.56 g/mol
LogP1.82
Rot. Bonds4

About N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide

N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide (PubChem CID 95766996) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide
PubChem CID95766996
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC NameN-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1
InChIInChI=1S/C19H24N4O4S2/c1-2-4-17(24)20-14-5-3-8-22(12-14)18(25)13-6-7-15-16(11-13)28-19-21-29(26,27)10-9-23(15)19/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyYKYITWJETCCBSL-CQSZACIVSA-N
XLogP1.82
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide with MolForge

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Related Compounds

(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazol-8-yl)-(3-ethylpiperidin-1-yl)methanone
CID 55655127
N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 95309440
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55330595
N-[(2-methoxyphenyl)methyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 7551248
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681
N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
CID 60621042
5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821552
N-[1-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]piperidin-3-yl]butanamide
CID 60622118
N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide
CID 133354738
ethyl N-[1-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)piperidin-3-yl]carbamate
CID 51116719

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide?
The IUPAC name of N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide (CID 95766996) is N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide is CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1.
What is the InChIKey of N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide?
The InChIKey is YKYITWJETCCBSL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-2-4-17(24)20-14-5-3-8-22(12-14)18(25)13-6-7-15-16(11-13)28-19-21-29(26,27)10-9-23(15)19/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide?
N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide has a molecular weight of 436.56 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 95766996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).