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

C15H25N5O3S — CID 86592639

IUPACtert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H](N=[N+]=[N-])C(=O)N2CCSC2)CC1
InChIInChI=1S/C15H25N5O3S/c1-15(2,3)23-14(22)19-6-4-11(5-7-19)12(17-18-16)13(21)20-8-9-24-10-20/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyVDYVDXKKRZTGMO-LBPRGKRZSA-N
MW355.46 g/mol
LogP2.85
Rot. Bonds3

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

tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate (PubChem CID 86592639) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
PubChem CID86592639
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Nametert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H](N=[N+]=[N-])C(=O)N2CCSC2)CC1
InChIInChI=1S/C15H25N5O3S/c1-15(2,3)23-14(22)19-6-4-11(5-7-19)12(17-18-16)13(21)20-8-9-24-10-20/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyVDYVDXKKRZTGMO-LBPRGKRZSA-N
XLogP2.85
TPSA98.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 58619011
tert-Butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 86759971
tert-butyl (2S)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 141282436
tert-butyl (2S)-4-methyl-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 163922017
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
Tert-butyl 2-(2-methylthiomorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 60251197

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate (CID 86592639) is tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@H](N=[N+]=[N-])C(=O)N2CCSC2)CC1.
What is the InChIKey of tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is VDYVDXKKRZTGMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-15(2,3)23-14(22)19-6-4-11(5-7-19)12(17-18-16)13(21)20-8-9-24-10-20/h11-12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 86592639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).