butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate

C15H27N3O3S — CID 71097499

IUPACbutyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC([C@H](N)C(=O)N2CCSC2)CC1
InChIInChI=1S/C15H27N3O3S/c1-2-3-9-21-15(20)17-6-4-12(5-7-17)13(16)14(19)18-8-10-22-11-18/h12-13H,2-11,16H2,1H3/t13-/m0/s1
InChIKeyGNQGYBZMLFWFDB-ZDUSSCGKSA-N
MW329.47 g/mol
LogP1.50
Rot. Bonds5

About butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate

butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate (PubChem CID 71097499) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
PubChem CID71097499
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Namebutyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC([C@H](N)C(=O)N2CCSC2)CC1
InChIInChI=1S/C15H27N3O3S/c1-2-3-9-21-15(20)17-6-4-12(5-7-17)13(16)14(19)18-8-10-22-11-18/h12-13H,2-11,16H2,1H3/t13-/m0/s1
InChIKeyGNQGYBZMLFWFDB-ZDUSSCGKSA-N
XLogP1.50
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 58619011
2-methylpropyl 4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxylate
CID 67507496
methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate
CID 67508134
4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid
CID 69152774
[(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid
CID 69152893
tert-Butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 86759971
Tert-butyl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 10131524
Propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 10267808
Methyl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 21023538
Ethyl 1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 43119958
Ethyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 43623387
Methyl 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 43623608

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate (CID 71097499) is butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate is CCCCOC(=O)N1CCC([C@H](N)C(=O)N2CCSC2)CC1.
What is the InChIKey of butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is GNQGYBZMLFWFDB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-2-3-9-21-15(20)17-6-4-12(5-7-17)13(16)14(19)18-8-10-22-11-18/h12-13H,2-11,16H2,1H3/t13-/m0/s1.
What are the key properties of butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 329.47 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 71097499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).