1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one

C14H23NOS — CID 65354690

IUPAC1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one
SMILESCCCc1c(CC)sc(N)c1C(=O)C(C)(C)C
InChIInChI=1S/C14H23NOS/c1-6-8-9-10(7-2)17-13(15)11(9)12(16)14(3,4)5/h6-8,15H2,1-5H3
InChIKeyICYGNMANPWMJIR-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one

1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 65354690) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one
PubChem CID65354690
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one
SMILESCCCc1c(CC)sc(N)c1C(=O)C(C)(C)C
InChIInChI=1S/C14H23NOS/c1-6-8-9-10(7-2)17-13(15)11(9)12(16)14(3,4)5/h6-8,15H2,1-5H3
InChIKeyICYGNMANPWMJIR-UHFFFAOYSA-N
XLogP4.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one (CID 65354690) is 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one is CCCc1c(CC)sc(N)c1C(=O)C(C)(C)C.
What is the InChIKey of 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is ICYGNMANPWMJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-6-8-9-10(7-2)17-13(15)11(9)12(16)14(3,4)5/h6-8,15H2,1-5H3.
What are the key properties of 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one?
1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 253.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 65354690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).