2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C14H27N3O3S — CID 65461375

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCNCC1(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H27N3O3S/c1-4-17(12-5-8-21(19,20)10-12)13(18)9-16-7-6-15-11-14(16,2)3/h12,15H,4-11H2,1-3H3
InChIKeyHREKVAFBEYFLBP-UHFFFAOYSA-N
MW317.46 g/mol
LogP-0.29
Rot. Bonds4

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

2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 65461375) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID65461375
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCNCC1(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H27N3O3S/c1-4-17(12-5-8-21(19,20)10-12)13(18)9-16-7-6-15-11-14(16,2)3/h12,15H,4-11H2,1-3H3
InChIKeyHREKVAFBEYFLBP-UHFFFAOYSA-N
XLogP-0.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
2-(4-cyclopentylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 128927537
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 56829006
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 98765175
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-ethyl-2-(1-methylpiperidin-4-yl)acetamide
CID 110754658
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide
CID 60945625
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 55591562
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7610071
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110853781
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 2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 65461375) is 2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CN1CCNCC1(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is HREKVAFBEYFLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-4-17(12-5-8-21(19,20)10-12)13(18)9-16-7-6-15-11-14(16,2)3/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 317.46 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 65461375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).