1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

C15H29NO2S — CID 135224642

IUPAC1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCCSC(C)C1CCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C15H29NO2S/c1-6-19-12(2)13-7-9-16(10-8-13)14(17)11-18-15(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyYFSHJBXTTQAZNP-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.18
Rot. Bonds5

About 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 135224642) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID135224642
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCCSC(C)C1CCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C15H29NO2S/c1-6-19-12(2)13-7-9-16(10-8-13)14(17)11-18-15(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyYFSHJBXTTQAZNP-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56764609
(3R)-3-methyl-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
CID 70315481
1-(4-Ethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604480
1-(4-Methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604744
2-[(2-Methylpropan-2-yl)oxy]-1-[4-(2-methyl-1-sulfanylpropan-2-yl)piperidin-1-yl]ethanone
CID 135224647
1-[4-[2-(Disulfanyl)propan-2-yl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 138580207
2-[(2-Methylpropan-2-yl)oxy]-1-(4-sulfanylpiperidin-1-yl)ethanone
CID 155051710
1-[4-(3-Methylsulfanylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 155402050
2-Methoxy-1-(4-methylsulfanylpiperidin-1-yl)ethanone
CID 170068863
1-(2-Ethoxyacetyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 65990739
4-[2-(Sulfanylmethyl)pentyl]morpholin-3-one
CID 80030426
4-(3-Methyl-5-sulfanylpentyl)morpholine-3,5-dione
CID 80030577

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 135224642) is 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is CCSC(C)C1CCN(C(=O)COC(C)(C)C)CC1.
What is the InChIKey of 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is YFSHJBXTTQAZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-6-19-12(2)13-7-9-16(10-8-13)14(17)11-18-15(3,4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 287.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylsulfanylethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 135224642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).