ethyl N'-cyclopentylcarbamimidothioate;hydroiodide

C8H17IN2S — CID 130723685

IUPACethyl N'-cyclopentylcarbamimidothioate;hydroiodide
SMILESCCS/C(N)=N\C1CCCC1.I
InChIInChI=1S/C8H16N2S.HI/c1-2-11-8(9)10-7-5-3-4-6-7;/h7H,2-6H2,1H3,(H2,9,10);1H
InChIKeyFTRRWZFRIQDHRJ-UHFFFAOYSA-N
MW300.21 g/mol
LogP2.61
Rot. Bonds2

About ethyl N'-cyclopentylcarbamimidothioate;hydroiodide

ethyl N'-cyclopentylcarbamimidothioate;hydroiodide (PubChem CID 130723685) has the molecular formula C8H17IN2S and a molecular weight of 300.21 g/mol. Its IUPAC name is ethyl N'-cyclopentylcarbamimidothioate;hydroiodide.

Molecular Properties

Compound Nameethyl N'-cyclopentylcarbamimidothioate;hydroiodide
PubChem CID130723685
Molecular FormulaC8H17IN2S
Molecular Weight300.21 g/mol
Exact Mass300.02
IUPAC Nameethyl N'-cyclopentylcarbamimidothioate;hydroiodide
SMILESCCS/C(N)=N\C1CCCC1.I
InChIInChI=1S/C8H16N2S.HI/c1-2-11-8(9)10-7-5-3-4-6-7;/h7H,2-6H2,1H3,(H2,9,10);1H
InChIKeyFTRRWZFRIQDHRJ-UHFFFAOYSA-N
XLogP2.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N'-cyclopentylcarbamimidothioate;hydroiodide?
The IUPAC name of ethyl N'-cyclopentylcarbamimidothioate;hydroiodide (CID 130723685) is ethyl N'-cyclopentylcarbamimidothioate;hydroiodide.
What is the SMILES notation for ethyl N'-cyclopentylcarbamimidothioate;hydroiodide?
The canonical SMILES for ethyl N'-cyclopentylcarbamimidothioate;hydroiodide is CCS/C(N)=N\C1CCCC1.I.
What is the InChIKey of ethyl N'-cyclopentylcarbamimidothioate;hydroiodide?
The InChIKey is FTRRWZFRIQDHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S.HI/c1-2-11-8(9)10-7-5-3-4-6-7;/h7H,2-6H2,1H3,(H2,9,10);1H.
What are the key properties of ethyl N'-cyclopentylcarbamimidothioate;hydroiodide?
ethyl N'-cyclopentylcarbamimidothioate;hydroiodide has a molecular weight of 300.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-cyclopentylcarbamimidothioate;hydroiodide is sourced from PubChem (CID 130723685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).