methyl N,1-dimethylpiperidine-3-carboximidothioate

C9H18N2S — CID 116828069

IUPACmethyl N,1-dimethylpiperidine-3-carboximidothioate
SMILESC/N=C(\SC)C1CCCN(C)C1
InChIInChI=1S/C9H18N2S/c1-10-9(12-3)8-5-4-6-11(2)7-8/h8H,4-7H2,1-3H3/b10-9-
InChIKeyYQEYOSOMQQCSAS-KTKRTIGZSA-N
MW186.32 g/mol
LogP1.72
Rot. Bonds1

About methyl N,1-dimethylpiperidine-3-carboximidothioate

methyl N,1-dimethylpiperidine-3-carboximidothioate (PubChem CID 116828069) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is methyl N,1-dimethylpiperidine-3-carboximidothioate.

Molecular Properties

Compound Namemethyl N,1-dimethylpiperidine-3-carboximidothioate
PubChem CID116828069
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Namemethyl N,1-dimethylpiperidine-3-carboximidothioate
SMILESC/N=C(\SC)C1CCCN(C)C1
InChIInChI=1S/C9H18N2S/c1-10-9(12-3)8-5-4-6-11(2)7-8/h8H,4-7H2,1-3H3/b10-9-
InChIKeyYQEYOSOMQQCSAS-KTKRTIGZSA-N
XLogP1.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.72
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl N,1-dimethylpiperidine-3-carboximidothioate?
The IUPAC name of methyl N,1-dimethylpiperidine-3-carboximidothioate (CID 116828069) is methyl N,1-dimethylpiperidine-3-carboximidothioate.
What is the SMILES notation for methyl N,1-dimethylpiperidine-3-carboximidothioate?
The canonical SMILES for methyl N,1-dimethylpiperidine-3-carboximidothioate is C/N=C(\SC)C1CCCN(C)C1.
What is the InChIKey of methyl N,1-dimethylpiperidine-3-carboximidothioate?
The InChIKey is YQEYOSOMQQCSAS-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H18N2S/c1-10-9(12-3)8-5-4-6-11(2)7-8/h8H,4-7H2,1-3H3/b10-9-.
What are the key properties of methyl N,1-dimethylpiperidine-3-carboximidothioate?
methyl N,1-dimethylpiperidine-3-carboximidothioate has a molecular weight of 186.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,1-dimethylpiperidine-3-carboximidothioate is sourced from PubChem (CID 116828069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).