N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide

C11H21N3O2S — CID 22610743

IUPACN-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide
SMILESCSCCC(NC(C)=O)C(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O2S/c1-9(15)13-10(3-8-17-2)11(16)14-6-4-12-5-7-14/h10,12H,3-8H2,1-2H3,(H,13,15)
InChIKeyFJLBYLZZBPWIIC-UHFFFAOYSA-N
MW259.37 g/mol
LogP-0.32
Rot. Bonds5

About N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide

N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide (PubChem CID 22610743) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide
PubChem CID22610743
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide
SMILESCSCCC(NC(C)=O)C(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O2S/c1-9(15)13-10(3-8-17-2)11(16)14-6-4-12-5-7-14/h10,12H,3-8H2,1-2H3,(H,13,15)
InChIKeyFJLBYLZZBPWIIC-UHFFFAOYSA-N
XLogP-0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide?
The IUPAC name of N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide (CID 22610743) is N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide?
The canonical SMILES for N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide is CSCCC(NC(C)=O)C(=O)N1CCNCC1.
What is the InChIKey of N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide?
The InChIKey is FJLBYLZZBPWIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-9(15)13-10(3-8-17-2)11(16)14-6-4-12-5-7-14/h10,12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide?
N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide has a molecular weight of 259.37 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanyl-1-oxo-1-piperazin-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 22610743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).