4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide

C10H21N3S — CID 115583418

IUPAC4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide
SMILESCCNC(=S)N1CCC(N(C)C)CC1
InChIInChI=1S/C10H21N3S/c1-4-11-10(14)13-7-5-9(6-8-13)12(2)3/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyWWAQYUUVXHACEB-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.91
Rot. Bonds2

About 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide

4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide (PubChem CID 115583418) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide
PubChem CID115583418
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide
SMILESCCNC(=S)N1CCC(N(C)C)CC1
InChIInChI=1S/C10H21N3S/c1-4-11-10(14)13-7-5-9(6-8-13)12(2)3/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyWWAQYUUVXHACEB-UHFFFAOYSA-N
XLogP0.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-methylpiperidine-1-carbothioamide
CID 115583416
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022
3-(dimethylamino)-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115609923
N-ethylpiperazine-1-carbothioamide
CID 13077529
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
CID 143677842
N-ethyl-4-hydroxy-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 130914691
N-ethyl-4-methylsulfonylpiperazine-1-carbothioamide
CID 19687943
1-[(E)-but-2-en-2-yl]-N,N-dimethylpiperidin-4-amine
CID 144864042
tris(1-[4-(dimethylamino)piperidin-1-yl]butane-1,3-dione);iron(3+)
CID 53467781
4-[(dimethylamino)methyl]-N-(2-methoxyethyl)piperidine-1-carbothioamide
CID 113224046
N-[(1S)-2-(diethylamino)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93178875
3-methyl-N-propylpyrrolidine-1-carbothioamide
CID 115601990

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide?
The IUPAC name of 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide (CID 115583418) is 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide.
What is the SMILES notation for 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide?
The canonical SMILES for 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide is CCNC(=S)N1CCC(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide?
The InChIKey is WWAQYUUVXHACEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-4-11-10(14)13-7-5-9(6-8-13)12(2)3/h9H,4-8H2,1-3H3,(H,11,14).
What are the key properties of 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide?
4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide has a molecular weight of 215.37 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-ethylpiperidine-1-carbothioamide is sourced from PubChem (CID 115583418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).