N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide

C12H20N2O4S — CID 62656194

IUPACN-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide
SMILESO=CC1CCCN(CC(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H20N2O4S/c15-8-10-2-1-4-14(6-10)7-12(16)13-11-3-5-19(17,18)9-11/h8,10-11H,1-7,9H2,(H,13,16)
InChIKeyPAQNXBXUXRFTBN-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.80
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide (PubChem CID 62656194) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide
PubChem CID62656194
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide
SMILESO=CC1CCCN(CC(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H20N2O4S/c15-8-10-2-1-4-14(6-10)7-12(16)13-11-3-5-19(17,18)9-11/h8,10-11H,1-7,9H2,(H,13,16)
InChIKeyPAQNXBXUXRFTBN-UHFFFAOYSA-N
XLogP-0.80
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225582
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 62061998
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942456
1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441841
3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324786
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 81490518
2-cyclopentylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18777901
2-(4-benzylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30726667
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9223139

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide (CID 62656194) is N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide is O=CC1CCCN(CC(=O)NC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide?
The InChIKey is PAQNXBXUXRFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c15-8-10-2-1-4-14(6-10)7-12(16)13-11-3-5-19(17,18)9-11/h8,10-11H,1-7,9H2,(H,13,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide has a molecular weight of 288.37 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62656194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).