[2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate

C20H25N3O5S — CID 11924546

IUPAC[2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate
SMILESO=C(COC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21)NC1CCCC1
InChIInChI=1S/C20H25N3O5S/c24-18(21-14-7-1-2-8-14)13-28-20(25)16-10-5-6-12-23(16)19-15-9-3-4-11-17(15)29(26,27)22-19/h3-4,9,11,14,16H,1-2,5-8,10,12-13H2,(H,21,24)/t16-/m1/s1
InChIKeyHSQJRPBVQUDTPU-MRXNPFEDSA-N
MW419.50 g/mol
LogP1.59
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate (PubChem CID 11924546) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate
PubChem CID11924546
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate
SMILESO=C(COC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21)NC1CCCC1
InChIInChI=1S/C20H25N3O5S/c24-18(21-14-7-1-2-8-14)13-28-20(25)16-10-5-6-12-23(16)19-15-9-3-4-11-17(15)29(26,27)22-19/h3-4,9,11,14,16H,1-2,5-8,10,12-13H2,(H,21,24)/t16-/m1/s1
InChIKeyHSQJRPBVQUDTPU-MRXNPFEDSA-N
XLogP1.59
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate with MolForge

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate
CID 11935079
[2-(tert-butylamino)-2-oxoethyl] (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate
CID 8950670
(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxamide
CID 8963894
[2-(4-fluoroanilino)-2-oxoethyl] (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate
CID 40942785
cyanomethyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate
CID 11924537
(2S)-N-cyclopropyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
CID 11937744
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate
CID 11935083
(3-methyl-1,2-oxazol-5-yl)methyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate
CID 9473298
naphthalen-1-ylmethyl (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate
CID 55943866
(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-piperidin-1-ylpyrrolidine-2-carboxamide
CID 11938447
N-(2-aminoethyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide
CID 119383070
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119450909

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate (CID 11924546) is [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate is O=C(COC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate?
The InChIKey is HSQJRPBVQUDTPU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O5S/c24-18(21-14-7-1-2-8-14)13-28-20(25)16-10-5-6-12-23(16)19-15-9-3-4-11-17(15)29(26,27)22-19/h3-4,9,11,14,16H,1-2,5-8,10,12-13H2,(H,21,24)/t16-/m1/s1.
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate has a molecular weight of 419.50 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate is sourced from PubChem (CID 11924546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).