2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

C11H20N2O2S — CID 106161493

IUPAC2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O2S/c1-7(9-4-12-5-9)11(15)13-8(2)10(6-14)16-3/h8,10,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyTZNUCXSGDAPCOL-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.13
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (PubChem CID 106161493) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
PubChem CID106161493
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O2S/c1-7(9-4-12-5-9)11(15)13-8(2)10(6-14)16-3/h8,10,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyTZNUCXSGDAPCOL-UHFFFAOYSA-N
XLogP0.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
CID 109889131
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbut-2-enamide
CID 103798990
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-3-carboxamide
CID 104437944
2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 106310859
2-(azetidin-3-ylidene)-N-(4-hydroxybutan-2-yl)propanamide
CID 116678811
2-(azetidin-3-ylidene)-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 116678999
2-(azetidin-3-ylidene)-N-(4-methylsulfanylbutan-2-yl)propanamide
CID 116679009
2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylbutan-2-yl)propanamide
CID 116679032
2-(azetidin-3-ylidene)-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 116679062
2-(azetidin-3-ylidene)-N-(1-hydroxypentan-3-yl)propanamide
CID 116679066
2-(azetidin-3-ylidene)-N-(1-ethylsulfanylpropan-2-yl)propanamide
CID 116679078
2-(azetidin-3-ylidene)-N-(4-ethylsulfanylbutan-2-yl)propanamide
CID 116679145

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (CID 106161493) is 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is CSC(CO)C(C)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is TZNUCXSGDAPCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(9-4-12-5-9)11(15)13-8(2)10(6-14)16-3/h8,10,12,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 244.36 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 106161493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).