N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide

C9H15N3O3S — CID 43593949

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C9H15N3O3S/c1-15-7-3-10-2-5(7)11-8(13)6-4-16-9(14)12-6/h5-7,10H,2-4H2,1H3,(H,11,13)(H,12,14)/t5?,6?,7-/m0/s1
InChIKeyZNNZVAQCMLKNMB-AHXFUIDQSA-N
MW245.30 g/mol
LogP-1.09
Rot. Bonds3

About N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 43593949) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID43593949
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C9H15N3O3S/c1-15-7-3-10-2-5(7)11-8(13)6-4-16-9(14)12-6/h5-7,10H,2-4H2,1H3,(H,11,13)(H,12,14)/t5?,6?,7-/m0/s1
InChIKeyZNNZVAQCMLKNMB-AHXFUIDQSA-N
XLogP-1.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 43593949) is N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is CO[C@H]1CNCC1NC(=O)C1CSC(=O)N1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZNNZVAQCMLKNMB-AHXFUIDQSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-15-7-3-10-2-5(7)11-8(13)6-4-16-9(14)12-6/h5-7,10H,2-4H2,1H3,(H,11,13)(H,12,14)/t5?,6?,7-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 245.30 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43593949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).