N-ethyl-4-fluoropiperidine-1-carbothioamide

C8H15FN2S — CID 164657808

IUPACN-ethyl-4-fluoropiperidine-1-carbothioamide
SMILESCCNC(=S)N1CCC(F)CC1
InChIInChI=1S/C8H15FN2S/c1-2-10-8(12)11-5-3-7(9)4-6-11/h7H,2-6H2,1H3,(H,10,12)
InChIKeyJHXMKFLIXRTGAZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.31
Rot. Bonds1

About N-ethyl-4-fluoropiperidine-1-carbothioamide

N-ethyl-4-fluoropiperidine-1-carbothioamide (PubChem CID 164657808) has the molecular formula C8H15FN2S and a molecular weight of 190.29 g/mol. Its IUPAC name is N-ethyl-4-fluoropiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-ethyl-4-fluoropiperidine-1-carbothioamide
PubChem CID164657808
Molecular FormulaC8H15FN2S
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC NameN-ethyl-4-fluoropiperidine-1-carbothioamide
SMILESCCNC(=S)N1CCC(F)CC1
InChIInChI=1S/C8H15FN2S/c1-2-10-8(12)11-5-3-7(9)4-6-11/h7H,2-6H2,1H3,(H,10,12)
InChIKeyJHXMKFLIXRTGAZ-UHFFFAOYSA-N
XLogP1.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.31
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-ethyl-4-fluoropiperidine-1-carbothioamide?
The IUPAC name of N-ethyl-4-fluoropiperidine-1-carbothioamide (CID 164657808) is N-ethyl-4-fluoropiperidine-1-carbothioamide.
What is the SMILES notation for N-ethyl-4-fluoropiperidine-1-carbothioamide?
The canonical SMILES for N-ethyl-4-fluoropiperidine-1-carbothioamide is CCNC(=S)N1CCC(F)CC1.
What is the InChIKey of N-ethyl-4-fluoropiperidine-1-carbothioamide?
The InChIKey is JHXMKFLIXRTGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2S/c1-2-10-8(12)11-5-3-7(9)4-6-11/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of N-ethyl-4-fluoropiperidine-1-carbothioamide?
N-ethyl-4-fluoropiperidine-1-carbothioamide has a molecular weight of 190.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoropiperidine-1-carbothioamide is sourced from PubChem (CID 164657808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).