1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone

C14H21NOS2 — CID 114237526

IUPAC1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCC(SC)CC2)s1
InChIInChI=1S/C14H21NOS2/c1-3-11-4-5-14(18-11)13(16)10-15-8-6-12(17-2)7-9-15/h4-5,12H,3,6-10H2,1-2H3
InChIKeyDYRZSDWZPDNBBA-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.32
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone

1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone (PubChem CID 114237526) has the molecular formula C14H21NOS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone
PubChem CID114237526
Molecular FormulaC14H21NOS2
Molecular Weight283.46 g/mol
Exact Mass283.11
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCC(SC)CC2)s1
InChIInChI=1S/C14H21NOS2/c1-3-11-4-5-14(18-11)13(16)10-15-8-6-12(17-2)7-9-15/h4-5,12H,3,6-10H2,1-2H3
InChIKeyDYRZSDWZPDNBBA-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone (CID 114237526) is 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone is CCc1ccc(C(=O)CN2CCC(SC)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone?
The InChIKey is DYRZSDWZPDNBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS2/c1-3-11-4-5-14(18-11)13(16)10-15-8-6-12(17-2)7-9-15/h4-5,12H,3,6-10H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone?
1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone has a molecular weight of 283.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114237526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).