2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide

C11H20N2O3S — CID 116678398

IUPAC2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
SMILESCC(C(=O)NCC(C)(C)S(C)(=O)=O)=C1CNC1
InChIInChI=1S/C11H20N2O3S/c1-8(9-5-12-6-9)10(14)13-7-11(2,3)17(4,15)16/h12H,5-7H2,1-4H3,(H,13,14)
InChIKeyIGJIFTWGWFBLJT-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.15
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide

2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide (PubChem CID 116678398) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
PubChem CID116678398
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
SMILESCC(C(=O)NCC(C)(C)S(C)(=O)=O)=C1CNC1
InChIInChI=1S/C11H20N2O3S/c1-8(9-5-12-6-9)10(14)13-7-11(2,3)17(4,15)16/h12H,5-7H2,1-4H3,(H,13,14)
InChIKeyIGJIFTWGWFBLJT-UHFFFAOYSA-N
XLogP-0.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide (CID 116678398) is 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide is CC(C(=O)NCC(C)(C)S(C)(=O)=O)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
The InChIKey is IGJIFTWGWFBLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(9-5-12-6-9)10(14)13-7-11(2,3)17(4,15)16/h12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide has a molecular weight of 260.36 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-methyl-2-methylsulfonylpropyl)propanamide is sourced from PubChem (CID 116678398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).