2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide

C12H22N2O3S — CID 43649177

IUPAC2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)CC1CCS(=O)(=O)C1)C1CCNCC1
InChIInChI=1S/C12H22N2O3S/c1-14(11-2-5-13-6-3-11)12(15)8-10-4-7-18(16,17)9-10/h10-11,13H,2-9H2,1H3
InChIKeyJNDDGRRAXWKWAG-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.02
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide

2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide (PubChem CID 43649177) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
PubChem CID43649177
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)CC1CCS(=O)(=O)C1)C1CCNCC1
InChIInChI=1S/C12H22N2O3S/c1-14(11-2-5-13-6-3-11)12(15)8-10-4-7-18(16,17)9-10/h10-11,13H,2-9H2,1H3
InChIKeyJNDDGRRAXWKWAG-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide (CID 43649177) is 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide is CN(C(=O)CC1CCS(=O)(=O)C1)C1CCNCC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide?
The InChIKey is JNDDGRRAXWKWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-14(11-2-5-13-6-3-11)12(15)8-10-4-7-18(16,17)9-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide?
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide has a molecular weight of 274.39 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 43649177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).