(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one

C8H12N2O2S — CID 71374314

IUPAC(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCSC2)N1
InChIInChI=1S/C8H12N2O2S/c11-7-2-1-6(9-7)8(12)10-3-4-13-5-10/h6H,1-5H2,(H,9,11)/t6-/m0/s1
InChIKeyZOXGXFCKWOMIEP-LURJTMIESA-N
MW200.26 g/mol
LogP-0.20
Rot. Bonds1

About (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one

(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one (PubChem CID 71374314) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
PubChem CID71374314
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCSC2)N1
InChIInChI=1S/C8H12N2O2S/c11-7-2-1-6(9-7)8(12)10-3-4-13-5-10/h6H,1-5H2,(H,9,11)/t6-/m0/s1
InChIKeyZOXGXFCKWOMIEP-LURJTMIESA-N
XLogP-0.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one (CID 71374314) is (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCSC2)N1.
What is the InChIKey of (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one?
The InChIKey is ZOXGXFCKWOMIEP-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-7-2-1-6(9-7)8(12)10-3-4-13-5-10/h6H,1-5H2,(H,9,11)/t6-/m0/s1.
What are the key properties of (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one?
(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one has a molecular weight of 200.26 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 71374314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).