N-methoxy-1-methylsulfonylazetidine-3-carboxamide

C6H12N2O4S — CID 71785540

IUPACN-methoxy-1-methylsulfonylazetidine-3-carboxamide
SMILESCONC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H12N2O4S/c1-12-7-6(9)5-3-8(4-5)13(2,10)11/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyOKAUWXLDWWIRMO-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.44
Rot. Bonds3

About N-methoxy-1-methylsulfonylazetidine-3-carboxamide

N-methoxy-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 71785540) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is N-methoxy-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-methylsulfonylazetidine-3-carboxamide
PubChem CID71785540
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC NameN-methoxy-1-methylsulfonylazetidine-3-carboxamide
SMILESCONC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H12N2O4S/c1-12-7-6(9)5-3-8(4-5)13(2,10)11/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyOKAUWXLDWWIRMO-UHFFFAOYSA-N
XLogP-1.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-methoxy-1-methylsulfonylazetidine-3-carboxamide (CID 71785540) is N-methoxy-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-methoxy-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-methoxy-1-methylsulfonylazetidine-3-carboxamide is CONC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-methoxy-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is OKAUWXLDWWIRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-12-7-6(9)5-3-8(4-5)13(2,10)11/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-methoxy-1-methylsulfonylazetidine-3-carboxamide?
N-methoxy-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 208.24 g/mol, XLogP of -1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 71785540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).