N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide

C12H22N2O3S — CID 51170868

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H22N2O3S/c1-10-2-5-14(6-3-10)8-12(15)13-11-4-7-18(16,17)9-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyRQCAEIURCNNSEY-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.02
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 51170868) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID51170868
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H22N2O3S/c1-10-2-5-14(6-3-10)8-12(15)13-11-4-7-18(16,17)9-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyRQCAEIURCNNSEY-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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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 62061998
N-(1,1-dioxothiolan-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225582
2-(4-benzylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30726667
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 94819756
N-(1,1-dioxothiolan-3-yl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672633
N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656194
2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9223139
3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324786
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 81490518
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylcyclohexyl)urea
CID 98160954

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide (CID 51170868) is N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)NC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is RQCAEIURCNNSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10-2-5-14(6-3-10)8-12(15)13-11-4-7-18(16,17)9-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide 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 N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 51170868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).