1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone

C15H21NOS — CID 116917154

IUPAC1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
SMILESCCSc1ccc(C(=O)CC2CCCCN2)cc1
InChIInChI=1S/C15H21NOS/c1-2-18-14-8-6-12(7-9-14)15(17)11-13-5-3-4-10-16-13/h6-9,13,16H,2-5,10-11H2,1H3
InChIKeyNREZOBBJVNNAPJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.51
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone

1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone (PubChem CID 116917154) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
PubChem CID116917154
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
SMILESCCSc1ccc(C(=O)CC2CCCCN2)cc1
InChIInChI=1S/C15H21NOS/c1-2-18-14-8-6-12(7-9-14)15(17)11-13-5-3-4-10-16-13/h6-9,13,16H,2-5,10-11H2,1H3
InChIKeyNREZOBBJVNNAPJ-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
CID 106848056
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
2-(azepan-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 81467196
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline
CID 115211012
1-[4-(3-phenoxypropoxy)phenyl]-2-piperidin-2-ylethanone
CID 22237356
1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982
1-(3-aminophenyl)-2-piperidin-2-ylethanone
CID 84683969
1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659
4-ethylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208091

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone (CID 116917154) is 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone is CCSc1ccc(C(=O)CC2CCCCN2)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone?
The InChIKey is NREZOBBJVNNAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-18-14-8-6-12(7-9-14)15(17)11-13-5-3-4-10-16-13/h6-9,13,16H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone?
1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone has a molecular weight of 263.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone is sourced from PubChem (CID 116917154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).