2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide

C12H20N2O3S — CID 75448855

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCC(C(=O)NC1CCS(=O)(=O)C1)N1CC=CCC1
InChIInChI=1S/C12H20N2O3S/c1-10(14-6-3-2-4-7-14)12(15)13-11-5-8-18(16,17)9-11/h2-3,10-11H,4-9H2,1H3,(H,13,15)
InChIKeyJEECSYLNDOMWDC-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.06
Rot. Bonds3

About 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide

2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 75448855) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID75448855
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCC(C(=O)NC1CCS(=O)(=O)C1)N1CC=CCC1
InChIInChI=1S/C12H20N2O3S/c1-10(14-6-3-2-4-7-14)12(15)13-11-5-8-18(16,17)9-11/h2-3,10-11H,4-9H2,1H3,(H,13,15)
InChIKeyJEECSYLNDOMWDC-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (CID 75448855) is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is CC(C(=O)NC1CCS(=O)(=O)C1)N1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is JEECSYLNDOMWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(14-6-3-2-4-7-14)12(15)13-11-5-8-18(16,17)9-11/h2-3,10-11H,4-9H2,1H3,(H,13,15).
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 272.37 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 75448855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).