methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide

C14H23IN2OS — CID 42962662

IUPACmethyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide
SMILESCS/C(=N\Cc1ccco1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C14H22N2OS.HI/c1-11-7-12(2)10-16(9-11)14(18-3)15-8-13-5-4-6-17-13;/h4-6,11-12H,7-10H2,1-3H3;1H/b15-14-;
InChIKeyHLHZDAHVFAQNLB-BGWNKZQTSA-N
MW394.32 g/mol
LogP4.09
Rot. Bonds2

About methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide

methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide (PubChem CID 42962662) has the molecular formula C14H23IN2OS and a molecular weight of 394.32 g/mol. Its IUPAC name is methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide.

Molecular Properties

Compound Namemethyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide
PubChem CID42962662
Molecular FormulaC14H23IN2OS
Molecular Weight394.32 g/mol
Exact Mass394.06
IUPAC Namemethyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide
SMILESCS/C(=N\Cc1ccco1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C14H22N2OS.HI/c1-11-7-12(2)10-16(9-11)14(18-3)15-8-13-5-4-6-17-13;/h4-6,11-12H,7-10H2,1-3H3;1H/b15-14-;
InChIKeyHLHZDAHVFAQNLB-BGWNKZQTSA-N
XLogP4.09
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide?
The IUPAC name of methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide (CID 42962662) is methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide.
What is the SMILES notation for methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide?
The canonical SMILES for methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide is CS/C(=N\Cc1ccco1)N1CC(C)CC(C)C1.I.
What is the InChIKey of methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide?
The InChIKey is HLHZDAHVFAQNLB-BGWNKZQTSA-N. The full InChI is InChI=1S/C14H22N2OS.HI/c1-11-7-12(2)10-16(9-11)14(18-3)15-8-13-5-4-6-17-13;/h4-6,11-12H,7-10H2,1-3H3;1H/b15-14-;.
What are the key properties of methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide?
methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide has a molecular weight of 394.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(furan-2-ylmethyl)-3,5-dimethylpiperidine-1-carboximidothioate;hydroiodide is sourced from PubChem (CID 42962662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).