N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide

C13H24N2S — CID 115608532

IUPACN-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide
SMILESCCC1CCCN1C(=S)NC1CCCCC1
InChIInChI=1S/C13H24N2S/c1-2-12-9-6-10-15(12)13(16)14-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyRBZZFPIHZYKCOK-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.07
Rot. Bonds2

About N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide

N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide (PubChem CID 115608532) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide
PubChem CID115608532
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide
SMILESCCC1CCCN1C(=S)NC1CCCCC1
InChIInChI=1S/C13H24N2S/c1-2-12-9-6-10-15(12)13(16)14-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyRBZZFPIHZYKCOK-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.07
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

N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
2-ethyl-N-methylazepane-1-carbothioamide
CID 115642318
N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
(2S)-N-cyclohexyl-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbothioamide
CID 95348894
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 19654742
(2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylic acid
CID 57088670
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 51529124
N-[3-(dimethylamino)propyl]-2-ethylazepane-1-carbothioamide
CID 112692488
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide?
The IUPAC name of N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide (CID 115608532) is N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide is CCC1CCCN1C(=S)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide?
The InChIKey is RBZZFPIHZYKCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-12-9-6-10-15(12)13(16)14-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide?
N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide has a molecular weight of 240.42 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide is sourced from PubChem (CID 115608532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).