(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide

C11H20N2S — CID 51529124

IUPAC(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
SMILESC=CCNC(=S)N1CCCC[C@@H]1CC
InChIInChI=1S/C11H20N2S/c1-3-8-12-11(14)13-9-6-5-7-10(13)4-2/h3,10H,1,4-9H2,2H3,(H,12,14)/t10-/m0/s1
InChIKeyGWNRHINOCWJIIS-JTQLQIEISA-N
MW212.36 g/mol
LogP2.31
Rot. Bonds3

About (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide

(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide (PubChem CID 51529124) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
PubChem CID51529124
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
SMILESC=CCNC(=S)N1CCCC[C@@H]1CC
InChIInChI=1S/C11H20N2S/c1-3-8-12-11(14)13-9-6-5-7-10(13)4-2/h3,10H,1,4-9H2,2H3,(H,12,14)/t10-/m0/s1
InChIKeyGWNRHINOCWJIIS-JTQLQIEISA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144922
2-ethyl-N-methylazepane-1-carbothioamide
CID 115642318
2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 19654742
N-[3-(dimethylamino)propyl]-2-ethylazepane-1-carbothioamide
CID 112692488
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide
CID 115608532
N-ethyl-2-propylpiperidine-1-carbothioamide
CID 104587652
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
1-(2-ethylpiperidin-1-yl)pent-4-en-1-one
CID 137321053
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
N-butyl-2-propylpiperidine-1-carbothioamide
CID 104587654
(2R)-N-[4-(difluoromethylsulfanyl)phenyl]-2-ethylpiperidine-1-carbothioamide
CID 2372905

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide?
The IUPAC name of (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide (CID 51529124) is (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide.
What is the SMILES notation for (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide?
The canonical SMILES for (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide is C=CCNC(=S)N1CCCC[C@@H]1CC.
What is the InChIKey of (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide?
The InChIKey is GWNRHINOCWJIIS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-8-12-11(14)13-9-6-5-7-10(13)4-2/h3,10H,1,4-9H2,2H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide?
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide has a molecular weight of 212.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide is sourced from PubChem (CID 51529124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).