N-methylpiperidine-1-carbothioamide

C7H14N2S — CID 698350

IUPACN-methylpiperidine-1-carbothioamide
SMILESCNC(=S)N1CCCCC1
InChIInChI=1S/C7H14N2S/c1-8-7(10)9-5-3-2-4-6-9/h2-6H2,1H3,(H,8,10)
InChIKeyUEEUTJLOMODYLL-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.98
Rot. Bonds

About N-methylpiperidine-1-carbothioamide

N-methylpiperidine-1-carbothioamide (PubChem CID 698350) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-methylpiperidine-1-carbothioamide
PubChem CID698350
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-methylpiperidine-1-carbothioamide
SMILESCNC(=S)N1CCCCC1
InChIInChI=1S/C7H14N2S/c1-8-7(10)9-5-3-2-4-6-9/h2-6H2,1H3,(H,8,10)
InChIKeyUEEUTJLOMODYLL-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylpiperidine-1-carbothioamide?
The IUPAC name of N-methylpiperidine-1-carbothioamide (CID 698350) is N-methylpiperidine-1-carbothioamide.
What is the SMILES notation for N-methylpiperidine-1-carbothioamide?
The canonical SMILES for N-methylpiperidine-1-carbothioamide is CNC(=S)N1CCCCC1.
What is the InChIKey of N-methylpiperidine-1-carbothioamide?
The InChIKey is UEEUTJLOMODYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-8-7(10)9-5-3-2-4-6-9/h2-6H2,1H3,(H,8,10).
What are the key properties of N-methylpiperidine-1-carbothioamide?
N-methylpiperidine-1-carbothioamide has a molecular weight of 158.27 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 698350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).