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

C11H20N2OS — CID 116677985

IUPAC2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2OS/c1-8(7-15-3)4-13-11(14)9(2)10-5-12-6-10/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHKZXRBPGTFZPDL-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.02
Rot. Bonds5

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

2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide (PubChem CID 116677985) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide
PubChem CID116677985
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)CNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2OS/c1-8(7-15-3)4-13-11(14)9(2)10-5-12-6-10/h8,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHKZXRBPGTFZPDL-UHFFFAOYSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
CID 116679121
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 107152926
2-[[2-(azetidin-3-ylidene)propanoylamino]methyl]butanoic acid
CID 116678180
2-(azetidin-3-ylidene)-N-(2-hydroxypentyl)propanamide
CID 116679068
2-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
methyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]-2-oxoacetate
CID 112617288
N-(2-methyl-3-methylsulfanylpropyl)-3-oxobutanamide
CID 63960200
N-(cyanomethyl)-N'-(2-methyl-3-methylsulfanylpropyl)oxamide
CID 63959995
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]-2-oxoacetate
CID 63960113
2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
CID 116674896
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 63959527

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide (CID 116677985) is 2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide is CSCC(C)CNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide?
The InChIKey is HKZXRBPGTFZPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(7-15-3)4-13-11(14)9(2)10-5-12-6-10/h8,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide has a molecular weight of 228.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 116677985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).