2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide

C15H23N3OS — CID 65460794

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCNCC1(C)C
InChIInChI=1S/C15H23N3OS/c1-15(2)11-16-8-9-18(15)10-14(19)17-12-6-4-5-7-13(12)20-3/h4-7,16H,8-11H2,1-3H3,(H,17,19)
InChIKeyIOPLCIQYSNUVMG-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.03
Rot. Bonds4

About 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide

2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 65460794) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID65460794
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCNCC1(C)C
InChIInChI=1S/C15H23N3OS/c1-15(2)11-16-8-9-18(15)10-14(19)17-12-6-4-5-7-13(12)20-3/h4-7,16H,8-11H2,1-3H3,(H,17,19)
InChIKeyIOPLCIQYSNUVMG-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65460584
methyl 3-[[2-(2,2-dimethylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 65461000
2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 65462375
2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 65460575
2-(2,2-dimethylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 65462175
2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide
CID 65462165
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide
CID 95329389
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18086210
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463000
2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 65462771
2-[1-[2-(2-methylsulfanylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618693

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide (CID 65460794) is 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN1CCNCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is IOPLCIQYSNUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(2)11-16-8-9-18(15)10-14(19)17-12-6-4-5-7-13(12)20-3/h4-7,16H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 65460794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).