1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one

C11H18N2OS — CID 103419253

IUPAC1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(CC)CC)cc1N
InChIInChI=1S/C11H18N2OS/c1-4-9(14)11-8(12)7-10(15-11)13(5-2)6-3/h7H,4-6,12H2,1-3H3
InChIKeyLBFCQRWHWCOBFU-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.77
Rot. Bonds5

About 1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one

1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one (PubChem CID 103419253) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
PubChem CID103419253
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(CC)CC)cc1N
InChIInChI=1S/C11H18N2OS/c1-4-9(14)11-8(12)7-10(15-11)13(5-2)6-3/h7H,4-6,12H2,1-3H3
InChIKeyLBFCQRWHWCOBFU-UHFFFAOYSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.77
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-(diethylamino)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one (CID 103419253) is 1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one is CCC(=O)c1sc(N(CC)CC)cc1N.
What is the InChIKey of 1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one?
The InChIKey is LBFCQRWHWCOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-9(14)11-8(12)7-10(15-11)13(5-2)6-3/h7H,4-6,12H2,1-3H3.
What are the key properties of 1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one?
1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one has a molecular weight of 226.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103419253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).