2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide

C10H17NO3S2 — CID 58969237

IUPAC2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide
SMILESCC(=O)COCCNC(=O)CC1CCSS1
InChIInChI=1S/C10H17NO3S2/c1-8(12)7-14-4-3-11-10(13)6-9-2-5-15-16-9/h9H,2-7H2,1H3,(H,11,13)
InChIKeyYHYNRPCBADDEQM-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.25
Rot. Bonds7

About 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide

2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide (PubChem CID 58969237) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide
PubChem CID58969237
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC Name2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide
SMILESCC(=O)COCCNC(=O)CC1CCSS1
InChIInChI=1S/C10H17NO3S2/c1-8(12)7-14-4-3-11-10(13)6-9-2-5-15-16-9/h9H,2-7H2,1H3,(H,11,13)
InChIKeyYHYNRPCBADDEQM-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide?
The IUPAC name of 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide (CID 58969237) is 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide.
What is the SMILES notation for 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide?
The canonical SMILES for 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide is CC(=O)COCCNC(=O)CC1CCSS1.
What is the InChIKey of 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide?
The InChIKey is YHYNRPCBADDEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-8(12)7-14-4-3-11-10(13)6-9-2-5-15-16-9/h9H,2-7H2,1H3,(H,11,13).
What are the key properties of 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide?
2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dithiolan-3-yl)-N-[2-(2-oxopropoxy)ethyl]acetamide is sourced from PubChem (CID 58969237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).