N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C11H18N2O3S — CID 51983234

IUPACN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCSC1=O)[C@H]1CCCO1
InChIInChI=1S/C11H18N2O3S/c1-8(9-3-2-5-16-9)12-10(14)7-13-4-6-17-11(13)15/h8-9H,2-7H2,1H3,(H,12,14)/t8-,9-/m1/s1
InChIKeySEMQWRVBJVPLFX-RKDXNWHRSA-N
MW258.34 g/mol
LogP0.84
Rot. Bonds4

About N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 51983234) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID51983234
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESC[C@@H](NC(=O)CN1CCSC1=O)[C@H]1CCCO1
InChIInChI=1S/C11H18N2O3S/c1-8(9-3-2-5-16-9)12-10(14)7-13-4-6-17-11(13)15/h8-9H,2-7H2,1H3,(H,12,14)/t8-,9-/m1/s1
InChIKeySEMQWRVBJVPLFX-RKDXNWHRSA-N
XLogP0.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 51983234) is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is C[C@@H](NC(=O)CN1CCSC1=O)[C@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is SEMQWRVBJVPLFX-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(9-3-2-5-16-9)12-10(14)7-13-4-6-17-11(13)15/h8-9H,2-7H2,1H3,(H,12,14)/t8-,9-/m1/s1.
What are the key properties of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 258.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 51983234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).