N-(1-oxothiolan-3-yl)formamide

C5H9NO2S — CID 144536008

IUPACN-(1-oxothiolan-3-yl)formamide
SMILESO=CNC1CCS(=O)C1
InChIInChI=1S/C5H9NO2S/c7-4-6-5-1-2-9(8)3-5/h4-5H,1-3H2,(H,6,7)
InChIKeyWTUBKAFALHCGTC-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.75
Rot. Bonds2

About N-(1-oxothiolan-3-yl)formamide

N-(1-oxothiolan-3-yl)formamide (PubChem CID 144536008) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is N-(1-oxothiolan-3-yl)formamide.

Molecular Properties

Compound NameN-(1-oxothiolan-3-yl)formamide
PubChem CID144536008
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC NameN-(1-oxothiolan-3-yl)formamide
SMILESO=CNC1CCS(=O)C1
InChIInChI=1S/C5H9NO2S/c7-4-6-5-1-2-9(8)3-5/h4-5H,1-3H2,(H,6,7)
InChIKeyWTUBKAFALHCGTC-UHFFFAOYSA-N
XLogP-0.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxothiolan-3-yl)formamide?
The IUPAC name of N-(1-oxothiolan-3-yl)formamide (CID 144536008) is N-(1-oxothiolan-3-yl)formamide.
What is the SMILES notation for N-(1-oxothiolan-3-yl)formamide?
The canonical SMILES for N-(1-oxothiolan-3-yl)formamide is O=CNC1CCS(=O)C1.
What is the InChIKey of N-(1-oxothiolan-3-yl)formamide?
The InChIKey is WTUBKAFALHCGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c7-4-6-5-1-2-9(8)3-5/h4-5H,1-3H2,(H,6,7).
What are the key properties of N-(1-oxothiolan-3-yl)formamide?
N-(1-oxothiolan-3-yl)formamide has a molecular weight of 147.20 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothiolan-3-yl)formamide is sourced from PubChem (CID 144536008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).