benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

C16H20N2O3S — CID 15051769

IUPACbenzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCSC1
InChIInChI=1S/C16H20N2O3S/c19-15(17-9-10-22-12-17)14-7-4-8-18(14)16(20)21-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1
InChIKeyUJBOEHNGHKEEQC-AWEZNQCLSA-N
MW320.41 g/mol
LogP2.32
Rot. Bonds3

About benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 15051769) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
PubChem CID15051769
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Namebenzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCSC1
InChIInChI=1S/C16H20N2O3S/c19-15(17-9-10-22-12-17)14-7-4-8-18(14)16(20)21-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1
InChIKeyUJBOEHNGHKEEQC-AWEZNQCLSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate (CID 15051769) is benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate is O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCSC1.
What is the InChIKey of benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is UJBOEHNGHKEEQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-15(17-9-10-22-12-17)14-7-4-8-18(14)16(20)21-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1.
What are the key properties of benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate?
benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15051769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).