2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide

C15H21ClN2S — CID 84748814

IUPAC2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide
SMILESCCC1CCCCN1C(C(N)=S)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2S/c1-2-11-7-5-6-10-18(11)14(15(17)19)12-8-3-4-9-13(12)16/h3-4,8-9,11,14H,2,5-7,10H2,1H3,(H2,17,19)
InChIKeyBBUWWFSJBQFYOP-UHFFFAOYSA-N
MW296.87 g/mol
LogP3.93
Rot. Bonds4

About 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide

2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide (PubChem CID 84748814) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide
PubChem CID84748814
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC Name2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide
SMILESCCC1CCCCN1C(C(N)=S)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2S/c1-2-11-7-5-6-10-18(11)14(15(17)19)12-8-3-4-9-13(12)16/h3-4,8-9,11,14H,2,5-7,10H2,1H3,(H2,17,19)
InChIKeyBBUWWFSJBQFYOP-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.87
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide?
The IUPAC name of 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide (CID 84748814) is 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide is CCC1CCCCN1C(C(N)=S)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide?
The InChIKey is BBUWWFSJBQFYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2S/c1-2-11-7-5-6-10-18(11)14(15(17)19)12-8-3-4-9-13(12)16/h3-4,8-9,11,14H,2,5-7,10H2,1H3,(H2,17,19).
What are the key properties of 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide?
2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide has a molecular weight of 296.87 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanethioamide is sourced from PubChem (CID 84748814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).