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

C12H22N2O3S — CID 43648898

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
SMILESCN(C(=O)CC1CCCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O3S/c1-14(11-5-7-18(16,17)9-11)12(15)8-10-4-2-3-6-13-10/h10-11,13H,2-9H2,1H3
InChIKeyXFIADVZZKNOUBP-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.16
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide (PubChem CID 43648898) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
PubChem CID43648898
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
SMILESCN(C(=O)CC1CCCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O3S/c1-14(11-5-7-18(16,17)9-11)12(15)8-10-4-2-3-6-13-10/h10-11,13H,2-9H2,1H3
InChIKeyXFIADVZZKNOUBP-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
N-methyl-N-(1-methylpiperidin-4-yl)-2-piperidin-2-ylacetamide
CID 43151295
N-cycloheptyl-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370216
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-2-carboxamide
CID 103807849
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-(1-ethylpiperidin-4-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 55002831
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110852974
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607275
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642515
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 22691367
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 80520117
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613965

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide (CID 43648898) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide is CN(C(=O)CC1CCCCN1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide?
The InChIKey is XFIADVZZKNOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-14(11-5-7-18(16,17)9-11)12(15)8-10-4-2-3-6-13-10/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide has a molecular weight of 274.39 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide is sourced from PubChem (CID 43648898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).