2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide

C7H13NO2S2 — CID 132543214

IUPAC2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1SCCS1
InChIInChI=1S/C7H13NO2S2/c1-8(10-2)6(9)5-7-11-3-4-12-7/h7H,3-5H2,1-2H3
InChIKeyXEURCFJAPIVIKG-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.20
Rot. Bonds3

About 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide

2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide (PubChem CID 132543214) has the molecular formula C7H13NO2S2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide
PubChem CID132543214
Molecular FormulaC7H13NO2S2
Molecular Weight207.32 g/mol
Exact Mass207.04
IUPAC Name2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1SCCS1
InChIInChI=1S/C7H13NO2S2/c1-8(10-2)6(9)5-7-11-3-4-12-7/h7H,3-5H2,1-2H3
InChIKeyXEURCFJAPIVIKG-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide (CID 132543214) is 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide is CON(C)C(=O)CC1SCCS1.
What is the InChIKey of 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide?
The InChIKey is XEURCFJAPIVIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S2/c1-8(10-2)6(9)5-7-11-3-4-12-7/h7H,3-5H2,1-2H3.
What are the key properties of 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide?
2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide has a molecular weight of 207.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiolan-2-yl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 132543214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).