2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide

C11H13ClN2O3S — CID 46398621

IUPAC2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide
SMILESO=C(CCl)N(c1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H13ClN2O3S/c12-7-11(15)14(10-3-1-2-5-13-10)9-4-6-18(16,17)8-9/h1-3,5,9H,4,6-8H2
InChIKeyAPVMLLJPNARLBC-UHFFFAOYSA-N
MW288.76 g/mol
LogP0.84
Rot. Bonds3

About 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide (PubChem CID 46398621) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide
PubChem CID46398621
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide
SMILESO=C(CCl)N(c1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H13ClN2O3S/c12-7-11(15)14(10-3-1-2-5-13-10)9-4-6-18(16,17)8-9/h1-3,5,9H,4,6-8H2
InChIKeyAPVMLLJPNARLBC-UHFFFAOYSA-N
XLogP0.84
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-phenyl-N-pyridin-2-ylacetamide
CID 102566160
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 99976316
2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(hydroxymethyl)phenyl]acetamide
CID 99976451
N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenyl-2-pyridin-2-ylsulfanylacetamide
CID 7376530
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 110389197
2-chloro-N-(3,4-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 46398649
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867468
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 7376539
N-cyclopropyl-N-pyridin-2-ylpentanamide
CID 110723068
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648835
2,2,2-trichloro-N-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 21179828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide (CID 46398621) is 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide is O=C(CCl)N(c1ccccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide?
The InChIKey is APVMLLJPNARLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c12-7-11(15)14(10-3-1-2-5-13-10)9-4-6-18(16,17)8-9/h1-3,5,9H,4,6-8H2.
What are the key properties of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide?
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide has a molecular weight of 288.76 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 46398621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).