N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide

C10H20N2O4S — CID 90513058

IUPACN-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-3-16-6-4-5-11-10(13)9-7-12(8-9)17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyGNFUCBOFFYQHTE-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.58
Rot. Bonds7

About N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide

N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 90513058) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID90513058
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O4S/c1-3-16-6-4-5-11-10(13)9-7-12(8-9)17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyGNFUCBOFFYQHTE-UHFFFAOYSA-N
XLogP-0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.58
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-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide (CID 90513058) is N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide is CCOCCCNC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is GNFUCBOFFYQHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-16-6-4-5-11-10(13)9-7-12(8-9)17(2,14)15/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide?
N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of -0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).