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

C14H25N3O3S — CID 10267808

IUPACpropan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C(N)C(=O)N2CCSC2)CC1
InChIInChI=1S/C14H25N3O3S/c1-10(2)20-14(19)16-5-3-11(4-6-16)12(15)13(18)17-7-8-21-9-17/h10-12H,3-9,15H2,1-2H3
InChIKeyOSNSJBXZJFVJLZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.10
Rot. Bonds3

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

propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate (PubChem CID 10267808) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
PubChem CID10267808
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Namepropan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C(N)C(=O)N2CCSC2)CC1
InChIInChI=1S/C14H25N3O3S/c1-10(2)20-14(19)16-5-3-11(4-6-16)12(15)13(18)17-7-8-21-9-17/h10-12H,3-9,15H2,1-2H3
InChIKeyOSNSJBXZJFVJLZ-UHFFFAOYSA-N
XLogP1.10
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
CID 23596433
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
CID 58594264
methyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 58619011
4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid
CID 69152774
butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 71097499
tert-Butyl 4-[(1S)-1-azido-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 86592639
tert-Butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 86759971
tert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
CID 163904018
Tert-butyl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 10131524
Methyl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 21023538
tert-butyl (4S)-4-[(1-methylpiperidin-4-yl)methylcarbamoyl]-1,3-thiazolidine-3-carboxylate
CID 53600858
Tert-butyl 4-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]piperidine-1-carboxylate
CID 56153164

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate (CID 10267808) is propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(C(N)C(=O)N2CCSC2)CC1.
What is the InChIKey of propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is OSNSJBXZJFVJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-10(2)20-14(19)16-5-3-11(4-6-16)12(15)13(18)17-7-8-21-9-17/h10-12H,3-9,15H2,1-2H3.
What are the key properties of propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 315.44 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 10267808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).