ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate

C17H23N3O7S2 — CID 22694953

IUPACethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1
InChIInChI=1S/C17H23N3O7S2/c1-2-27-17(22)19-10-7-13(8-11-19)18-29(25,26)15-5-3-14(4-6-15)20-16(21)9-12-28(20,23)24/h3-6,13,18H,2,7-12H2,1H3
InChIKeyWTISVHAIZXVWJO-UHFFFAOYSA-N
MW445.52 g/mol
LogP0.65
Rot. Bonds5

About ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate

ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 22694953) has the molecular formula C17H23N3O7S2 and a molecular weight of 445.52 g/mol. Its IUPAC name is ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
PubChem CID22694953
Molecular FormulaC17H23N3O7S2
Molecular Weight445.52 g/mol
Exact Mass445.10
IUPAC Nameethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1
InChIInChI=1S/C17H23N3O7S2/c1-2-27-17(22)19-10-7-13(8-11-19)18-29(25,26)15-5-3-14(4-6-15)20-16(21)9-12-28(20,23)24/h3-6,13,18H,2,7-12H2,1H3
InChIKeyWTISVHAIZXVWJO-UHFFFAOYSA-N
XLogP0.65
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 84556985
ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
CID 110413355
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005629
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945533
N-[(2R)-2-(diethylamino)propyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42343407
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
N-[(2R)-2-pyrrolidin-1-ylpropyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42343400
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate (CID 22694953) is ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The InChIKey is WTISVHAIZXVWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O7S2/c1-2-27-17(22)19-10-7-13(8-11-19)18-29(25,26)15-5-3-14(4-6-15)20-16(21)9-12-28(20,23)24/h3-6,13,18H,2,7-12H2,1H3.
What are the key properties of ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate has a molecular weight of 445.52 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 22694953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).