N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide

C6H11NO3S — CID 88906988

IUPACN-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide
SMILESCCS(C)(=O)=NC(=O)C1CO1
InChIInChI=1S/C6H11NO3S/c1-3-11(2,9)7-6(8)5-4-10-5/h5H,3-4H2,1-2H3
InChIKeyJWLVCJKPQITCRZ-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.03
Rot. Bonds2

About N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide

N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide (PubChem CID 88906988) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide.

Molecular Properties

Compound NameN-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide
PubChem CID88906988
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide
SMILESCCS(C)(=O)=NC(=O)C1CO1
InChIInChI=1S/C6H11NO3S/c1-3-11(2,9)7-6(8)5-4-10-5/h5H,3-4H2,1-2H3
InChIKeyJWLVCJKPQITCRZ-UHFFFAOYSA-N
XLogP0.03
TPSA59.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide?
The IUPAC name of N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide (CID 88906988) is N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide.
What is the SMILES notation for N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide?
The canonical SMILES for N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide is CCS(C)(=O)=NC(=O)C1CO1.
What is the InChIKey of N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide?
The InChIKey is JWLVCJKPQITCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-3-11(2,9)7-6(8)5-4-10-5/h5H,3-4H2,1-2H3.
What are the key properties of N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide?
N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide has a molecular weight of 177.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethyl-methyl-oxo-λ6-sulfanylidene)oxirane-2-carboxamide is sourced from PubChem (CID 88906988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).