2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C13H25N3O3S — CID 63874286

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)C2CCS(=O)(=O)C2)CC(C)N1
InChIInChI=1S/C13H25N3O3S/c1-10-6-16(7-11(2)14-10)8-13(17)15(3)12-4-5-20(18,19)9-12/h10-12,14H,4-9H2,1-3H3
InChIKeyUETMSFSUJCVNGH-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.69
Rot. Bonds3

About 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 63874286) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID63874286
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)C2CCS(=O)(=O)C2)CC(C)N1
InChIInChI=1S/C13H25N3O3S/c1-10-6-16(7-11(2)14-10)8-13(17)15(3)12-4-5-20(18,19)9-12/h10-12,14H,4-9H2,1-3H3
InChIKeyUETMSFSUJCVNGH-UHFFFAOYSA-N
XLogP-0.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872577
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119924043
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 114961224
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-pyrrolidin-1-ylpropanamide
CID 110688152
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689904
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
2-(2-cyanopiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 79085324
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80506970
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 109001904

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 63874286) is 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CC1CN(CC(=O)N(C)C2CCS(=O)(=O)C2)CC(C)N1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is UETMSFSUJCVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-10-6-16(7-11(2)14-10)8-13(17)15(3)12-4-5-20(18,19)9-12/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 303.43 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 63874286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).