1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone

C14H24N2O2S — CID 91921280

IUPAC1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCC(C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C14H24N2O2S/c1-11(17)15-6-3-12(4-7-15)13-5-8-16(9-13)14(18)10-19-2/h12-13H,3-10H2,1-2H3
InChIKeyOCQIYWYKRIMEAM-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.46
Rot. Bonds3

About 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone

1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone (PubChem CID 91921280) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone
PubChem CID91921280
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCC(C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C14H24N2O2S/c1-11(17)15-6-3-12(4-7-15)13-5-8-16(9-13)14(18)10-19-2/h12-13H,3-10H2,1-2H3
InChIKeyOCQIYWYKRIMEAM-UHFFFAOYSA-N
XLogP1.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone?
The IUPAC name of 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone (CID 91921280) is 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone.
What is the SMILES notation for 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone?
The canonical SMILES for 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone is CSCC(=O)N1CCC(C2CCN(C(C)=O)CC2)C1.
What is the InChIKey of 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone?
The InChIKey is OCQIYWYKRIMEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(17)15-6-3-12(4-7-15)13-5-8-16(9-13)14(18)10-19-2/h12-13H,3-10H2,1-2H3.
What are the key properties of 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone?
1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone has a molecular weight of 284.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone is sourced from PubChem (CID 91921280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).