N-(2-oxothiolan-3-yl)acetamide

C6H9NO2S — CID 14520

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IUPACN-(2-oxothiolan-3-yl)acetamide
SMILESCC(=O)NC1CCSC1=O
InChIInChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)
InChIKeyNRFJZTXWLKPZAV-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.15
Rot. Bonds1

About N-(2-oxothiolan-3-yl)acetamide

N-(2-oxothiolan-3-yl)acetamide (PubChem CID 14520) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is N-(2-oxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxothiolan-3-yl)acetamide
PubChem CID14520
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC NameN-(2-oxothiolan-3-yl)acetamide
SMILESCC(=O)NC1CCSC1=O
InChIInChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)
InChIKeyNRFJZTXWLKPZAV-UHFFFAOYSA-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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Related Compounds

2,2,2-trifluoro-N-(2-oxotetrahydrothiophen-3-yl)acetamide
CID 18877472
2,2-dimethyl-N-(2-oxotetrahydrothien-3-yl)propanamide
CID 5070262
N-Acetyl-DL-methioninamide
CID 536763
N-[(3S)-2-oxothiolan-3-yl]hexanamide
CID 50991459
n-(3-Oxotetrahydrothiophen-2-yl)acetamide
CID 2773
N-[(3S)-2-oxothiolan-3-yl]butanamide
CID 40610542
2-Chloro-N-(2-oxothiolan-3-yl)acetamide
CID 6490304
2-ethyl-N-(2-oxothiolan-3-yl)butanamide
CID 2938038
N-[(3S)-2-oxothiolan-3-yl]acetamide
CID 7057882
N-propionyl-3-aminodihydro-2(3h)-thiophenone
CID 23522246
3-(methylsulfanyl)-N-(propan-2-yl)propanamide
CID 21304893
N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 22868722

Frequently Asked Questions

What is the IUPAC name of N-(2-oxothiolan-3-yl)acetamide?
The IUPAC name of N-(2-oxothiolan-3-yl)acetamide (CID 14520) is N-(2-oxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(2-oxothiolan-3-yl)acetamide?
The canonical SMILES for N-(2-oxothiolan-3-yl)acetamide is CC(=O)NC1CCSC1=O.
What is the InChIKey of N-(2-oxothiolan-3-yl)acetamide?
The InChIKey is NRFJZTXWLKPZAV-UHFFFAOYSA-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).
What are the key properties of N-(2-oxothiolan-3-yl)acetamide?
N-(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-(2-oxothiolan-3-yl)acetamide is sourced from PubChem (CID 14520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).