2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide

C11H22N2S — CID 19654742

IUPAC2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
SMILESCCC1CCCCN1C(=S)NC(C)C
InChIInChI=1S/C11H22N2S/c1-4-10-7-5-6-8-13(10)11(14)12-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyJYKYFEWMOYRSNP-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.53
Rot. Bonds2

About 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide

2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide (PubChem CID 19654742) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
PubChem CID19654742
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
SMILESCCC1CCCCN1C(=S)NC(C)C
InChIInChI=1S/C11H22N2S/c1-4-10-7-5-6-8-13(10)11(14)12-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyJYKYFEWMOYRSNP-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-methylazepane-1-carbothioamide
CID 115642318
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide
CID 115608532
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 51529124
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
(4aS,8aR)-N-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioamide
CID 27209341
N-[3-(dimethylamino)propyl]-2-ethylazepane-1-carbothioamide
CID 112692488
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide?
The IUPAC name of 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide (CID 19654742) is 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide.
What is the SMILES notation for 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide?
The canonical SMILES for 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide is CCC1CCCCN1C(=S)NC(C)C.
What is the InChIKey of 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide?
The InChIKey is JYKYFEWMOYRSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-4-10-7-5-6-8-13(10)11(14)12-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide?
2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide has a molecular weight of 214.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide is sourced from PubChem (CID 19654742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).