N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide

C6H12N2O2S — CID 130581994

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide
SMILESCS(C)(=O)=NC(=O)C1CNC1
InChIInChI=1S/C6H12N2O2S/c1-11(2,10)8-6(9)5-3-7-4-5/h5,7H,3-4H2,1-2H3
InChIKeyKVJMAUWNXVMPRA-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.54
Rot. Bonds1

About N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide

N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide (PubChem CID 130581994) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide
PubChem CID130581994
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide
SMILESCS(C)(=O)=NC(=O)C1CNC1
InChIInChI=1S/C6H12N2O2S/c1-11(2,10)8-6(9)5-3-7-4-5/h5,7H,3-4H2,1-2H3
InChIKeyKVJMAUWNXVMPRA-UHFFFAOYSA-N
XLogP-0.54
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide (CID 130581994) is N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide is CS(C)(=O)=NC(=O)C1CNC1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide?
The InChIKey is KVJMAUWNXVMPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-11(2,10)8-6(9)5-3-7-4-5/h5,7H,3-4H2,1-2H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide has a molecular weight of 176.24 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]azetidine-3-carboxamide is sourced from PubChem (CID 130581994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).