3-amino-1-thiophen-2-ylpropan-1-one

C14H18N2O2S2 — CID 67612327

IUPAC3-amino-1-thiophen-2-ylpropan-1-one
SMILESNCCC(=O)c1cccs1.NCCC(=O)c1cccs1
InChIInChI=1S/2C7H9NOS/c2*8-4-3-6(9)7-2-1-5-10-7/h2*1-2,5H,3-4,8H2
InChIKeyUJAUYUMHGRAJSB-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.56
Rot. Bonds6

About 3-amino-1-thiophen-2-ylpropan-1-one

3-amino-1-thiophen-2-ylpropan-1-one (PubChem CID 67612327) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-amino-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-thiophen-2-ylpropan-1-one
PubChem CID67612327
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name3-amino-1-thiophen-2-ylpropan-1-one
SMILESNCCC(=O)c1cccs1.NCCC(=O)c1cccs1
InChIInChI=1S/2C7H9NOS/c2*8-4-3-6(9)7-2-1-5-10-7/h2*1-2,5H,3-4,8H2
InChIKeyUJAUYUMHGRAJSB-UHFFFAOYSA-N
XLogP2.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-Iodothiophen-2-yl)-3-[2-[2-[[3-(5-iodothiophen-2-yl)-3-oxopropyl]amino]ethyldisulfanyl]ethylamino]propan-1-one
CID 52921246
gamma-(2-Aminoethylamino)-2-butryothienone
CID 126103
1-(5-Bromothiophen-2-yl)-3-[2-[2-[[3-(5-bromothiophen-2-yl)-3-oxopropyl]amino]ethyldisulfanyl]ethylamino]propan-1-one
CID 52921176
3-[2-[2-[(3-Oxo-3-thiophen-2-ylpropyl)amino]ethyldisulfanyl]ethylamino]-1-thiophen-2-ylpropan-1-one
CID 53318693
1-(3-Bromothiophen-2-yl)-3-[2-[2-[[3-(3-bromothiophen-2-yl)-3-oxopropyl]amino]ethyldisulfanyl]ethylamino]propan-1-one
CID 53324064
2-Amino-1-(thiophen-2-yl)ethan-1-one hydrochloride
CID 12609833
2-Amino-1-(thiophen-2-yl)propan-1-one
CID 573473
1-Propanone, 3-(methylamino)-1-(2-thienyl)-, hydrochloride (1:1)
CID 10035872
3-Amino-1-(thiophen-2-yl)butan-1-one hydrochloride
CID 68922794
3-(Methylamino)-1-(thiophen-2-yl)propan-1-one
CID 10035873
3,3'-(Methylimino)bis[1-(thiophen-2-yl)propan-1-one]
CID 2064475
4-Amino-1-(thiophen-2-yl)butan-1-one hydrochloride
CID 165944108

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-amino-1-thiophen-2-ylpropan-1-one (CID 67612327) is 3-amino-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-amino-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-amino-1-thiophen-2-ylpropan-1-one is NCCC(=O)c1cccs1.NCCC(=O)c1cccs1.
What is the InChIKey of 3-amino-1-thiophen-2-ylpropan-1-one?
The InChIKey is UJAUYUMHGRAJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NOS/c2*8-4-3-6(9)7-2-1-5-10-7/h2*1-2,5H,3-4,8H2.
What are the key properties of 3-amino-1-thiophen-2-ylpropan-1-one?
3-amino-1-thiophen-2-ylpropan-1-one has a molecular weight of 310.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 67612327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).