methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate

C15H25N3O3S — CID 67508134

IUPACmethyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC1
InChIInChI=1S/C15H25N3O3S/c1-21-15(20)11-2-4-17(5-3-11)12-8-13(16-9-12)14(19)18-6-7-22-10-18/h11-13,16H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyRIZJKIPKXLTWFS-STQMWFEESA-N
MW327.45 g/mol
LogP0.13
Rot. Bonds3

About methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate

methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate (PubChem CID 67508134) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate
PubChem CID67508134
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Namemethyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC1
InChIInChI=1S/C15H25N3O3S/c1-21-15(20)11-2-4-17(5-3-11)12-8-13(16-9-12)14(19)18-6-7-22-10-18/h11-13,16H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyRIZJKIPKXLTWFS-STQMWFEESA-N
XLogP0.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

S-[2-methyl-3-oxo-3-[(1R,4R)-6-oxo-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl] ethanethioate
CID 57088344
methyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 58619011
methyl 1-[(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate
CID 67506003
methyl 4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxylate;dihydrochloride
CID 67506724
methyl 4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxylate
CID 67506725
tert-Butyl (2S,4S)-4-(piperazin-1-yl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 67507471
2-methylpropyl 4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxylate;dihydrochloride
CID 67507495
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;dihydrochloride
CID 67508133
butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 71097499
1-acetyl-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 91018667
ethyl 1-[(2S,4R)-4-[(3R,5S)-5-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrrolidin-3-yl]sulfanylpyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 139981111

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate (CID 67508134) is methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate is COC(=O)C1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC1.
What is the InChIKey of methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate?
The InChIKey is RIZJKIPKXLTWFS-STQMWFEESA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-21-15(20)11-2-4-17(5-3-11)12-8-13(16-9-12)14(19)18-6-7-22-10-18/h11-13,16H,2-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate?
methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate has a molecular weight of 327.45 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate is sourced from PubChem (CID 67508134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).