1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one

C15H24N2OS — CID 103418556

IUPAC1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC1CC(C)CN(c2cc(N)c(C(=O)C(C)C)s2)C1
InChIInChI=1S/C15H24N2OS/c1-9(2)14(18)15-12(16)6-13(19-15)17-7-10(3)5-11(4)8-17/h6,9-11H,5,7-8,16H2,1-4H3
InChIKeyHXQSWXPIBRSMHO-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.65
Rot. Bonds3

About 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103418556) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103418556
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC1CC(C)CN(c2cc(N)c(C(=O)C(C)C)s2)C1
InChIInChI=1S/C15H24N2OS/c1-9(2)14(18)15-12(16)6-13(19-15)17-7-10(3)5-11(4)8-17/h6,9-11H,5,7-8,16H2,1-4H3
InChIKeyHXQSWXPIBRSMHO-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one (CID 103418556) is 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one is CC1CC(C)CN(c2cc(N)c(C(=O)C(C)C)s2)C1.
What is the InChIKey of 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is HXQSWXPIBRSMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-9(2)14(18)15-12(16)6-13(19-15)17-7-10(3)5-11(4)8-17/h6,9-11H,5,7-8,16H2,1-4H3.
What are the key properties of 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 280.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103418556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).