N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide

C8H16N2O4S — CID 90513054

IUPACN-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCOCCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O4S/c1-14-4-3-9-8(11)7-5-10(6-7)15(2,12)13/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyGQXXGGHOKNEFGW-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.36
Rot. Bonds5

About N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide

N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 90513054) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID90513054
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCOCCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O4S/c1-14-4-3-9-8(11)7-5-10(6-7)15(2,12)13/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyGQXXGGHOKNEFGW-UHFFFAOYSA-N
XLogP-1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide (CID 90513054) is N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide is COCCNC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is GQXXGGHOKNEFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-14-4-3-9-8(11)7-5-10(6-7)15(2,12)13/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide?
N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 236.29 g/mol, XLogP of -1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).