[5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone

C14H15NOS — CID 142875747

IUPAC[5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone
SMILESCC(CN)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H15NOS/c1-10(9-15)12-7-8-13(17-12)14(16)11-5-3-2-4-6-11/h2-8,10H,9,15H2,1H3
InChIKeyPZEFYONJSVXFDG-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.04
Rot. Bonds4

About [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone

[5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone (PubChem CID 142875747) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone
PubChem CID142875747
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name[5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone
SMILESCC(CN)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H15NOS/c1-10(9-15)12-7-8-13(17-12)14(16)11-5-3-2-4-6-11/h2-8,10H,9,15H2,1H3
InChIKeyPZEFYONJSVXFDG-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone (CID 142875747) is [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone is CC(CN)c1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone?
The InChIKey is PZEFYONJSVXFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10(9-15)12-7-8-13(17-12)14(16)11-5-3-2-4-6-11/h2-8,10H,9,15H2,1H3.
What are the key properties of [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone?
[5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone has a molecular weight of 245.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-aminopropan-2-yl)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 142875747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).