2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide

C10H18N2OS — CID 116678999

IUPAC2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide
SMILESCSCC(C)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H18N2OS/c1-7(6-14-3)12-10(13)8(2)9-4-11-5-9/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyAVEJSVGEWOUIOW-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.77
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide

2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide (PubChem CID 116678999) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide
PubChem CID116678999
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide
SMILESCSCC(C)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H18N2OS/c1-7(6-14-3)12-10(13)8(2)9-4-11-5-9/h7,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyAVEJSVGEWOUIOW-UHFFFAOYSA-N
XLogP0.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide (CID 116678999) is 2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide is CSCC(C)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide?
The InChIKey is AVEJSVGEWOUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(6-14-3)12-10(13)8(2)9-4-11-5-9/h7,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide?
2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide has a molecular weight of 214.33 g/mol, XLogP of 0.77, 4 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-(1-methylsulfanylpropan-2-yl)propanamide is sourced from PubChem (CID 116678999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).