4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide

C15H19ClN2OS — CID 2909948

IUPAC4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide
SMILESCCC1CCCCN1C(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2OS/c1-2-13-5-3-4-10-18(13)15(20)17-14(19)11-6-8-12(16)9-7-11/h6-9,13H,2-5,10H2,1H3,(H,17,19,20)
InChIKeyVUWJOKDWHHFRHY-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.62
Rot. Bonds2

About 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide

4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide (PubChem CID 2909948) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide
PubChem CID2909948
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide
SMILESCCC1CCCCN1C(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2OS/c1-2-13-5-3-4-10-18(13)15(20)17-14(19)11-6-8-12(16)9-7-11/h6-9,13H,2-5,10H2,1H3,(H,17,19,20)
InChIKeyVUWJOKDWHHFRHY-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.62
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

N-[(2R)-2-ethylpiperidine-1-carbothioyl]-3-nitrobenzamide
CID 886391
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
1-(4-chlorophenyl)-4-(2-ethylpyrrolidin-1-yl)butane-1,4-dione
CID 110619138
N-(2,6-dichlorophenyl)-2-ethylazepane-1-carbothioamide
CID 104691156
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108985796
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide?
The IUPAC name of 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide (CID 2909948) is 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide is CCC1CCCCN1C(=S)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide?
The InChIKey is VUWJOKDWHHFRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-2-13-5-3-4-10-18(13)15(20)17-14(19)11-6-8-12(16)9-7-11/h6-9,13H,2-5,10H2,1H3,(H,17,19,20).
What are the key properties of 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide?
4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide has a molecular weight of 310.85 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylpiperidine-1-carbothioyl)benzamide is sourced from PubChem (CID 2909948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).