ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide

C10H21IN2S — CID 45157809

IUPACethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide
SMILESCCC/N=C(\SCC)N1CCCC1.I
InChIInChI=1S/C10H20N2S.HI/c1-3-7-11-10(13-4-2)12-8-5-6-9-12;/h3-9H2,1-2H3;1H/b11-10-;
InChIKeyDAPPOECCMDJFCP-GMFCBQQYSA-N
MW328.26 g/mol
LogP3.22
Rot. Bonds3

About ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide

ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide (PubChem CID 45157809) has the molecular formula C10H21IN2S and a molecular weight of 328.26 g/mol. Its IUPAC name is ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide.

Molecular Properties

Compound Nameethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide
PubChem CID45157809
Molecular FormulaC10H21IN2S
Molecular Weight328.26 g/mol
Exact Mass328.05
IUPAC Nameethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide
SMILESCCC/N=C(\SCC)N1CCCC1.I
InChIInChI=1S/C10H20N2S.HI/c1-3-7-11-10(13-4-2)12-8-5-6-9-12;/h3-9H2,1-2H3;1H/b11-10-;
InChIKeyDAPPOECCMDJFCP-GMFCBQQYSA-N
XLogP3.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
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-propylpyrrolidine-1-carboximidothioate;hydroiodide?
The IUPAC name of ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide (CID 45157809) is ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide.
What is the SMILES notation for ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide?
The canonical SMILES for ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide is CCC/N=C(\SCC)N1CCCC1.I.
What is the InChIKey of ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide?
The InChIKey is DAPPOECCMDJFCP-GMFCBQQYSA-N. The full InChI is InChI=1S/C10H20N2S.HI/c1-3-7-11-10(13-4-2)12-8-5-6-9-12;/h3-9H2,1-2H3;1H/b11-10-;.
What are the key properties of ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide?
ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide has a molecular weight of 328.26 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propylpyrrolidine-1-carboximidothioate;hydroiodide is sourced from PubChem (CID 45157809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).