1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one

C13H22N2O2S — CID 103420277

IUPAC1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)Oc1c(N(C)C)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C13H22N2O2S/c1-7(2)10(16)12-9(14)11(17-8(3)4)13(18-12)15(5)6/h7-8H,14H2,1-6H3
InChIKeyGOJFZXCSXNBLIS-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.02
Rot. Bonds5

About 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103420277) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
PubChem CID103420277
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)Oc1c(N(C)C)sc(C(=O)C(C)C)c1N
InChIInChI=1S/C13H22N2O2S/c1-7(2)10(16)12-9(14)11(17-8(3)4)13(18-12)15(5)6/h7-8H,14H2,1-6H3
InChIKeyGOJFZXCSXNBLIS-UHFFFAOYSA-N
XLogP3.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one (CID 103420277) is 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one is CC(C)Oc1c(N(C)C)sc(C(=O)C(C)C)c1N.
What is the InChIKey of 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is GOJFZXCSXNBLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-7(2)10(16)12-9(14)11(17-8(3)4)13(18-12)15(5)6/h7-8H,14H2,1-6H3.
What are the key properties of 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 270.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(dimethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103420277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).