1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C21H26N4O4S2 — CID 56506488

IUPAC1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C21H26N4O4S2/c26-19(23-21-22-8-12-30-21)17-7-4-9-25(15-17)20(27)18(16-5-2-1-3-6-16)24-10-13-31(28,29)14-11-24/h1-3,5-6,8,12,17-18H,4,7,9-11,13-15H2,(H,22,23,26)
InChIKeyVIYXDCGAVMJLSF-UHFFFAOYSA-N
MW462.60 g/mol
LogP1.79
Rot. Bonds5

About 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 56506488) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID56506488
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC Name1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C21H26N4O4S2/c26-19(23-21-22-8-12-30-21)17-7-4-9-25(15-17)20(27)18(16-5-2-1-3-6-16)24-10-13-31(28,29)14-11-24/h1-3,5-6,8,12,17-18H,4,7,9-11,13-15H2,(H,22,23,26)
InChIKeyVIYXDCGAVMJLSF-UHFFFAOYSA-N
XLogP1.79
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 56540283
(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810960
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
3-N-(1,3-thiazol-2-yl)-1-N-(1-thiophen-2-ylpropyl)piperidine-1,3-dicarboxamide
CID 55931373
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55959519
(3S)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94638871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 56506488) is 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)C(c2ccccc2)N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is VIYXDCGAVMJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c26-19(23-21-22-8-12-30-21)17-7-4-9-25(15-17)20(27)18(16-5-2-1-3-6-16)24-10-13-31(28,29)14-11-24/h1-3,5-6,8,12,17-18H,4,7,9-11,13-15H2,(H,22,23,26).
What are the key properties of 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56506488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).