1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone

C15H27NO2S — CID 111538517

IUPAC1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCCSC1CCCCN(C(=O)CC2(O)CCCC2)C1
InChIInChI=1S/C15H27NO2S/c1-2-19-13-7-3-6-10-16(12-13)14(17)11-15(18)8-4-5-9-15/h13,18H,2-12H2,1H3
InChIKeyGEAXCAQOOBZBQM-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone

1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 111538517) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
PubChem CID111538517
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCCSC1CCCCN(C(=O)CC2(O)CCCC2)C1
InChIInChI=1S/C15H27NO2S/c1-2-19-13-7-3-6-10-16(12-13)14(17)11-15(18)8-4-5-9-15/h13,18H,2-12H2,1H3
InChIKeyGEAXCAQOOBZBQM-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone (CID 111538517) is 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone is CCSC1CCCCN(C(=O)CC2(O)CCCC2)C1.
What is the InChIKey of 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is GEAXCAQOOBZBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-2-19-13-7-3-6-10-16(12-13)14(17)11-15(18)8-4-5-9-15/h13,18H,2-12H2,1H3.
What are the key properties of 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 285.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 111538517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).