acetamido piperidine-1-carbodithioate

C8H14N2OS2 — CID 15152681

IUPACacetamido piperidine-1-carbodithioate
SMILESCC(=O)NSC(=S)N1CCCCC1
InChIInChI=1S/C8H14N2OS2/c1-7(11)9-13-8(12)10-5-3-2-4-6-10/h2-6H2,1H3,(H,9,11)
InChIKeyJLTYIWDLFBUOJM-UHFFFAOYSA-N
MW218.35 g/mol
LogP1.54
Rot. Bonds

About acetamido piperidine-1-carbodithioate

acetamido piperidine-1-carbodithioate (PubChem CID 15152681) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is acetamido piperidine-1-carbodithioate.

Molecular Properties

Compound Nameacetamido piperidine-1-carbodithioate
PubChem CID15152681
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Nameacetamido piperidine-1-carbodithioate
SMILESCC(=O)NSC(=S)N1CCCCC1
InChIInChI=1S/C8H14N2OS2/c1-7(11)9-13-8(12)10-5-3-2-4-6-10/h2-6H2,1H3,(H,9,11)
InChIKeyJLTYIWDLFBUOJM-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 140773790
CID 140773790
[2-(4-acetamidoanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7607505
ethyl pyrrolidine-1-carbodithioate
CID 14287987
(2-hydrazinyl-2-oxoethyl) pyrrolidine-1-carbodithioate
CID 853106
tert-butylsulfanyl piperidine-1-carbodithioate
CID 581801
[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate
CID 6329119
tert-butyl 2-(azepane-1-carbothioylsulfanyl)acetate
CID 71677639
[2-(cycloheptylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 4857334
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266
N-ethylethanamine;1-piperidin-1-ylethanone
CID 143658502
N-acetylacetamide;1-methylpyrrolidine
CID 90017429

Frequently Asked Questions

What is the IUPAC name of acetamido piperidine-1-carbodithioate?
The IUPAC name of acetamido piperidine-1-carbodithioate (CID 15152681) is acetamido piperidine-1-carbodithioate.
What is the SMILES notation for acetamido piperidine-1-carbodithioate?
The canonical SMILES for acetamido piperidine-1-carbodithioate is CC(=O)NSC(=S)N1CCCCC1.
What is the InChIKey of acetamido piperidine-1-carbodithioate?
The InChIKey is JLTYIWDLFBUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-7(11)9-13-8(12)10-5-3-2-4-6-10/h2-6H2,1H3,(H,9,11).
What are the key properties of acetamido piperidine-1-carbodithioate?
acetamido piperidine-1-carbodithioate has a molecular weight of 218.35 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido piperidine-1-carbodithioate is sourced from PubChem (CID 15152681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).