N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide

C10H19NO2S2 — CID 20731400

IUPACN-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide
SMILESCC(=O)NCCOC1CCSCCCS1
InChIInChI=1S/C10H19NO2S2/c1-9(12)11-4-5-13-10-3-8-14-6-2-7-15-10/h10H,2-8H2,1H3,(H,11,12)
InChIKeyAGSBDPZZDRTZIU-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.73
Rot. Bonds4

About N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide

N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide (PubChem CID 20731400) has the molecular formula C10H19NO2S2 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide
PubChem CID20731400
Molecular FormulaC10H19NO2S2
Molecular Weight249.40 g/mol
Exact Mass249.09
IUPAC NameN-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide
SMILESCC(=O)NCCOC1CCSCCCS1
InChIInChI=1S/C10H19NO2S2/c1-9(12)11-4-5-13-10-3-8-14-6-2-7-15-10/h10H,2-8H2,1H3,(H,11,12)
InChIKeyAGSBDPZZDRTZIU-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide?
The IUPAC name of N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide (CID 20731400) is N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide?
The canonical SMILES for N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide is CC(=O)NCCOC1CCSCCCS1.
What is the InChIKey of N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide?
The InChIKey is AGSBDPZZDRTZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S2/c1-9(12)11-4-5-13-10-3-8-14-6-2-7-15-10/h10H,2-8H2,1H3,(H,11,12).
What are the key properties of N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide?
N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide has a molecular weight of 249.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,5-dithiocan-2-yloxy)ethyl]acetamide is sourced from PubChem (CID 20731400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).