N,N-dimethyl-5-oxothiolane-3-carboxamide

C7H11NO2S — CID 15029729

IUPACN,N-dimethyl-5-oxothiolane-3-carboxamide
SMILESCN(C)C(=O)C1CSC(=O)C1
InChIInChI=1S/C7H11NO2S/c1-8(2)7(10)5-3-6(9)11-4-5/h5H,3-4H2,1-2H3
InChIKeyUSVKSCLAPYBOGS-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.35
Rot. Bonds1

About N,N-dimethyl-5-oxothiolane-3-carboxamide

N,N-dimethyl-5-oxothiolane-3-carboxamide (PubChem CID 15029729) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is N,N-dimethyl-5-oxothiolane-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-oxothiolane-3-carboxamide
PubChem CID15029729
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC NameN,N-dimethyl-5-oxothiolane-3-carboxamide
SMILESCN(C)C(=O)C1CSC(=O)C1
InChIInChI=1S/C7H11NO2S/c1-8(2)7(10)5-3-6(9)11-4-5/h5H,3-4H2,1-2H3
InChIKeyUSVKSCLAPYBOGS-UHFFFAOYSA-N
XLogP0.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.35
H-Bond Donors ≤ 50
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,N-dimethyl-5-oxothiolane-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-oxothiolane-3-carboxamide (CID 15029729) is N,N-dimethyl-5-oxothiolane-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-oxothiolane-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-oxothiolane-3-carboxamide is CN(C)C(=O)C1CSC(=O)C1.
What is the InChIKey of N,N-dimethyl-5-oxothiolane-3-carboxamide?
The InChIKey is USVKSCLAPYBOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-8(2)7(10)5-3-6(9)11-4-5/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-5-oxothiolane-3-carboxamide?
N,N-dimethyl-5-oxothiolane-3-carboxamide has a molecular weight of 173.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-oxothiolane-3-carboxamide is sourced from PubChem (CID 15029729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).