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

C5H7NO2S — CID 19374143

IUPACN-(2-oxothiolan-3-yl)formamide
SMILESO=CNC1CCSC1=O
InChIInChI=1S/C5H7NO2S/c7-3-6-4-1-2-9-5(4)8/h3-4H,1-2H2,(H,6,7)
InChIKeyRFZNWTYWGIRZLV-UHFFFAOYSA-N
MW145.18 g/mol
LogP-0.24
Rot. Bonds2

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

N-(2-oxothiolan-3-yl)formamide (PubChem CID 19374143) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is N-(2-oxothiolan-3-yl)formamide.

Molecular Properties

Compound NameN-(2-oxothiolan-3-yl)formamide
PubChem CID19374143
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC NameN-(2-oxothiolan-3-yl)formamide
SMILESO=CNC1CCSC1=O
InChIInChI=1S/C5H7NO2S/c7-3-6-4-1-2-9-5(4)8/h3-4H,1-2H2,(H,6,7)
InChIKeyRFZNWTYWGIRZLV-UHFFFAOYSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxothiolan-3-yl)formamide?
The IUPAC name of N-(2-oxothiolan-3-yl)formamide (CID 19374143) is N-(2-oxothiolan-3-yl)formamide.
What is the SMILES notation for N-(2-oxothiolan-3-yl)formamide?
The canonical SMILES for N-(2-oxothiolan-3-yl)formamide is O=CNC1CCSC1=O.
What is the InChIKey of N-(2-oxothiolan-3-yl)formamide?
The InChIKey is RFZNWTYWGIRZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c7-3-6-4-1-2-9-5(4)8/h3-4H,1-2H2,(H,6,7).
What are the key properties of N-(2-oxothiolan-3-yl)formamide?
N-(2-oxothiolan-3-yl)formamide has a molecular weight of 145.18 g/mol, XLogP of -0.24, 2 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)formamide is sourced from PubChem (CID 19374143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).