tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate

C15H26N2O3S — CID 59862960

IUPACtert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate
SMILESCCC1SC(C2CCN(C(=O)OC(C)(C)C)CC2)NC1=O
InChIInChI=1S/C15H26N2O3S/c1-5-11-12(18)16-13(21-11)10-6-8-17(9-7-10)14(19)20-15(2,3)4/h10-11,13H,5-9H2,1-4H3,(H,16,18)
InChIKeyKLTKPALEDHFJOL-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate (PubChem CID 59862960) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate
PubChem CID59862960
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Nametert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate
SMILESCCC1SC(C2CCN(C(=O)OC(C)(C)C)CC2)NC1=O
InChIInChI=1S/C15H26N2O3S/c1-5-11-12(18)16-13(21-11)10-6-8-17(9-7-10)14(19)20-15(2,3)4/h10-11,13H,5-9H2,1-4H3,(H,16,18)
InChIKeyKLTKPALEDHFJOL-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[(1,1-dioxothiolan-3-yl)carbamoyl]piperidine-1-carboxylate
CID 45797873
Methyl 4-((2-(cyclopentylthio)acetamido)methyl)piperidine-1-carboxylate
CID 71806291
Tert-butyl 2-ethyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 23574966
Tert-butyl 1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 50853145
Tert-butyl 3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 50853285
2-Piperidin-4-yl-2-propan-2-ylsulfanyl-1-pyrrolidin-1-ylethanone
CID 57742773
Methyl 4-(3-methylsulfanylpropylcarbamoyl)piperidine-1-carboxylate
CID 57939462
5-Ethyl-2-piperidin-4-yl-1,3-thiazolidin-4-one
CID 59862962
(5S)-5-ethyl-2-piperidin-4-yl-1,3-thiazolidin-4-one
CID 59862965
(5R)-5-ethyl-2-piperidin-4-yl-1,3-thiazolidin-4-one
CID 59862966
Tert-butyl 1-thia-4,7-diazaspiro[4.5]decane-7-carboxylate
CID 80497783
tert-Butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 86759971

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate (CID 59862960) is tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate is CCC1SC(C2CCN(C(=O)OC(C)(C)C)CC2)NC1=O.
What is the InChIKey of tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate?
The InChIKey is KLTKPALEDHFJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-11-12(18)16-13(21-11)10-6-8-17(9-7-10)14(19)20-15(2,3)4/h10-11,13H,5-9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate has a molecular weight of 314.45 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59862960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).