1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one

C15H23NOS2 — CID 82052453

IUPAC1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCSc1ccc(C(=O)CCN2CCC(C)CC2)s1
InChIInChI=1S/C15H23NOS2/c1-3-18-15-5-4-14(19-15)13(17)8-11-16-9-6-12(2)7-10-16/h4-5,12H,3,6-11H2,1-2H3
InChIKeyBYRULJXUPWQKDQ-UHFFFAOYSA-N
MW297.49 g/mol
LogP4.16
Rot. Bonds6

About 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one

1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 82052453) has the molecular formula C15H23NOS2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID82052453
Molecular FormulaC15H23NOS2
Molecular Weight297.49 g/mol
Exact Mass297.12
IUPAC Name1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCSc1ccc(C(=O)CCN2CCC(C)CC2)s1
InChIInChI=1S/C15H23NOS2/c1-3-18-15-5-4-14(19-15)13(17)8-11-16-9-6-12(2)7-10-16/h4-5,12H,3,6-11H2,1-2H3
InChIKeyBYRULJXUPWQKDQ-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one (CID 82052453) is 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one is CCSc1ccc(C(=O)CCN2CCC(C)CC2)s1.
What is the InChIKey of 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is BYRULJXUPWQKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS2/c1-3-18-15-5-4-14(19-15)13(17)8-11-16-9-6-12(2)7-10-16/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one?
1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 297.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylsulfanylthiophen-2-yl)-3-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82052453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).