[5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone

C15H17NOS — CID 142875746

IUPAC[5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone
SMILESCC(CCN)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C15H17NOS/c1-11(9-10-16)13-7-8-14(18-13)15(17)12-5-3-2-4-6-12/h2-8,11H,9-10,16H2,1H3
InChIKeyLAOVGQQBRPJKDQ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.43
Rot. Bonds5

About [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone

[5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone (PubChem CID 142875746) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone
PubChem CID142875746
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name[5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone
SMILESCC(CCN)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C15H17NOS/c1-11(9-10-16)13-7-8-14(18-13)15(17)12-5-3-2-4-6-12/h2-8,11H,9-10,16H2,1H3
InChIKeyLAOVGQQBRPJKDQ-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone (CID 142875746) is [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone is CC(CCN)c1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone?
The InChIKey is LAOVGQQBRPJKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(9-10-16)13-7-8-14(18-13)15(17)12-5-3-2-4-6-12/h2-8,11H,9-10,16H2,1H3.
What are the key properties of [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone?
[5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone has a molecular weight of 259.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminobutan-2-yl)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 142875746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).