N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide

C14H25N3O4S — CID 113164965

IUPACN-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCCN1CCN(C(=O)CN(C(C)=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H25N3O4S/c1-3-15-5-7-16(8-6-15)14(19)10-17(12(2)18)13-4-9-22(20,21)11-13/h13H,3-11H2,1-2H3
InChIKeyANSRVAQUQREEKY-UHFFFAOYSA-N
MW331.44 g/mol
LogP-0.81
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide

N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113164965) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113164965
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCCN1CCN(C(=O)CN(C(C)=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H25N3O4S/c1-3-15-5-7-16(8-6-15)14(19)10-17(12(2)18)13-4-9-22(20,21)11-13/h13H,3-11H2,1-2H3
InChIKeyANSRVAQUQREEKY-UHFFFAOYSA-N
XLogP-0.81
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108526939
1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone
CID 108996130
2-[(1,1-dioxothiolan-3-yl)-(1-ethylpiperidin-4-yl)amino]acetic acid
CID 65059637
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55409034
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
methyl 2-[acetyl-[(3R)-1,1-dioxothiolan-3-yl]amino]acetate
CID 39884592
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 142622337
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 55591562
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409815
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109017385

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113164965) is N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide is CCN1CCN(C(=O)CN(C(C)=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is ANSRVAQUQREEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-3-15-5-7-16(8-6-15)14(19)10-17(12(2)18)13-4-9-22(20,21)11-13/h13H,3-11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of -0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113164965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).