methyl N-methylpiperidine-1-carboximidothioate

C8H16N2S — CID 13034329

IUPACmethyl N-methylpiperidine-1-carboximidothioate
SMILESC/N=C(\SC)N1CCCCC1
InChIInChI=1S/C8H16N2S/c1-9-8(11-2)10-6-4-3-5-7-10/h3-7H2,1-2H3/b9-8-
InChIKeySPUCMOYKIUGDLY-HJWRWDBZSA-N
MW172.30 g/mol
LogP1.82
Rot. Bonds

About methyl N-methylpiperidine-1-carboximidothioate

methyl N-methylpiperidine-1-carboximidothioate (PubChem CID 13034329) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is methyl N-methylpiperidine-1-carboximidothioate.

Molecular Properties

Compound Namemethyl N-methylpiperidine-1-carboximidothioate
PubChem CID13034329
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Namemethyl N-methylpiperidine-1-carboximidothioate
SMILESC/N=C(\SC)N1CCCCC1
InChIInChI=1S/C8H16N2S/c1-9-8(11-2)10-6-4-3-5-7-10/h3-7H2,1-2H3/b9-8-
InChIKeySPUCMOYKIUGDLY-HJWRWDBZSA-N
XLogP1.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.82
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-methylpiperidine-1-carboximidothioate?
The IUPAC name of methyl N-methylpiperidine-1-carboximidothioate (CID 13034329) is methyl N-methylpiperidine-1-carboximidothioate.
What is the SMILES notation for methyl N-methylpiperidine-1-carboximidothioate?
The canonical SMILES for methyl N-methylpiperidine-1-carboximidothioate is C/N=C(\SC)N1CCCCC1.
What is the InChIKey of methyl N-methylpiperidine-1-carboximidothioate?
The InChIKey is SPUCMOYKIUGDLY-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H16N2S/c1-9-8(11-2)10-6-4-3-5-7-10/h3-7H2,1-2H3/b9-8-.
What are the key properties of methyl N-methylpiperidine-1-carboximidothioate?
methyl N-methylpiperidine-1-carboximidothioate has a molecular weight of 172.30 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylpiperidine-1-carboximidothioate is sourced from PubChem (CID 13034329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).