3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one

C12H18N2OS — CID 66356050

IUPAC3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one
SMILESCC(C)NC1CCCN(c2ccsc2)C1=O
InChIInChI=1S/C12H18N2OS/c1-9(2)13-11-4-3-6-14(12(11)15)10-5-7-16-8-10/h5,7-9,11,13H,3-4,6H2,1-2H3
InChIKeyPZASGAFKLKJVCA-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.24
Rot. Bonds3

About 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one

3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one (PubChem CID 66356050) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one.

Molecular Properties

Compound Name3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one
PubChem CID66356050
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one
SMILESCC(C)NC1CCCN(c2ccsc2)C1=O
InChIInChI=1S/C12H18N2OS/c1-9(2)13-11-4-3-6-14(12(11)15)10-5-7-16-8-10/h5,7-9,11,13H,3-4,6H2,1-2H3
InChIKeyPZASGAFKLKJVCA-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one?
The IUPAC name of 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one (CID 66356050) is 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one.
What is the SMILES notation for 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one?
The canonical SMILES for 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one is CC(C)NC1CCCN(c2ccsc2)C1=O.
What is the InChIKey of 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one?
The InChIKey is PZASGAFKLKJVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(2)13-11-4-3-6-14(12(11)15)10-5-7-16-8-10/h5,7-9,11,13H,3-4,6H2,1-2H3.
What are the key properties of 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one?
3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one has a molecular weight of 238.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-1-thiophen-3-ylpiperidin-2-one is sourced from PubChem (CID 66356050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).