N-[(3S)-2-oxothiolan-3-yl]acetamide

C6H9NO2S — CID 7057882

IUPACN-[(3S)-2-oxothiolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCSC1=O
InChIInChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)/t5-/m0/s1
InChIKeyNRFJZTXWLKPZAV-YFKPBYRVSA-N
MW159.21 g/mol
LogP0.15
Rot. Bonds1

About N-[(3S)-2-oxothiolan-3-yl]acetamide

N-[(3S)-2-oxothiolan-3-yl]acetamide (PubChem CID 7057882) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is N-[(3S)-2-oxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxothiolan-3-yl]acetamide
PubChem CID7057882
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC NameN-[(3S)-2-oxothiolan-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCSC1=O
InChIInChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)/t5-/m0/s1
InChIKeyNRFJZTXWLKPZAV-YFKPBYRVSA-N
XLogP0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3S)-2-oxothiolan-3-yl]acetamide?
The IUPAC name of N-[(3S)-2-oxothiolan-3-yl]acetamide (CID 7057882) is N-[(3S)-2-oxothiolan-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-2-oxothiolan-3-yl]acetamide?
The canonical SMILES for N-[(3S)-2-oxothiolan-3-yl]acetamide is CC(=O)N[C@H]1CCSC1=O.
What is the InChIKey of N-[(3S)-2-oxothiolan-3-yl]acetamide?
The InChIKey is NRFJZTXWLKPZAV-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)/t5-/m0/s1.
What are the key properties of N-[(3S)-2-oxothiolan-3-yl]acetamide?
N-[(3S)-2-oxothiolan-3-yl]acetamide has a molecular weight of 159.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxothiolan-3-yl]acetamide is sourced from PubChem (CID 7057882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).