2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone

C15H22N2O2S — CID 79526927

IUPAC2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
SMILESCCOc1ccc(N)c(SCC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-2-19-12-6-7-13(16)14(10-12)20-11-15(18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9,11,16H2,1H3
InChIKeySKKBMTDCMCZERH-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.77
Rot. Bonds5

About 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone

2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 79526927) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID79526927
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
SMILESCCOc1ccc(N)c(SCC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H22N2O2S/c1-2-19-12-6-7-13(16)14(10-12)20-11-15(18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9,11,16H2,1H3
InChIKeySKKBMTDCMCZERH-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methylphenyl)sulfanyl-1-(azepan-1-yl)ethanone
CID 79142739
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79527004
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 23737671
1-(azocan-1-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 9018991
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 79518904
2-(2-amino-5-ethoxyphenyl)sulfanyl-2-fluoroacetic acid
CID 79512385
2-(2-amino-4-fluorophenyl)sulfanyl-1-(azocan-1-yl)ethanone
CID 43304171
2-(2-amino-4-bromophenyl)sulfanyl-1-piperidin-1-ylethanone
CID 43306100
1-amino-3-(2-amino-5-ethoxyphenyl)sulfanylpropan-2-ol
CID 104643517
2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone
CID 28573510
2-cyclohexylsulfanyl-4-ethoxyaniline
CID 79526853
4-ethoxy-2-(3-methylbut-2-enylsulfanyl)aniline
CID 79526787

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone (CID 79526927) is 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone is CCOc1ccc(N)c(SCC(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is SKKBMTDCMCZERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-19-12-6-7-13(16)14(10-12)20-11-15(18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9,11,16H2,1H3.
What are the key properties of 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone?
2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 294.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 79526927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).