3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide

C9H18N2O4S — CID 121164595

IUPAC3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide
SMILESCCS(=O)(=O)C1CN(C(=O)NCCOC)C1
InChIInChI=1S/C9H18N2O4S/c1-3-16(13,14)8-6-11(7-8)9(12)10-4-5-15-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyCSYPZGJZNZPOOE-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.54
Rot. Bonds5

About 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide

3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide (PubChem CID 121164595) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide
PubChem CID121164595
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide
SMILESCCS(=O)(=O)C1CN(C(=O)NCCOC)C1
InChIInChI=1S/C9H18N2O4S/c1-3-16(13,14)8-6-11(7-8)9(12)10-4-5-15-2/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyCSYPZGJZNZPOOE-UHFFFAOYSA-N
XLogP-0.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.54
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 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide?
The IUPAC name of 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide (CID 121164595) is 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide is CCS(=O)(=O)C1CN(C(=O)NCCOC)C1.
What is the InChIKey of 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide?
The InChIKey is CSYPZGJZNZPOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-16(13,14)8-6-11(7-8)9(12)10-4-5-15-2/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide?
3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide is sourced from PubChem (CID 121164595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).