6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one

C12H19NOS — CID 116578135

IUPAC6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one
SMILESCCC(CCN)CCC(=O)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-2-10(5-7-13)3-4-12(14)11-6-8-15-9-11/h6,8-10H,2-5,7,13H2,1H3
InChIKeyLIPUNFLAVDCBGB-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.09
Rot. Bonds7

About 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one

6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one (PubChem CID 116578135) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one.

Molecular Properties

Compound Name6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one
PubChem CID116578135
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one
SMILESCCC(CCN)CCC(=O)c1ccsc1
InChIInChI=1S/C12H19NOS/c1-2-10(5-7-13)3-4-12(14)11-6-8-15-9-11/h6,8-10H,2-5,7,13H2,1H3
InChIKeyLIPUNFLAVDCBGB-UHFFFAOYSA-N
XLogP3.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one
CID 116578308
2-ethylhexyl 3-oxo-3-thiophen-3-ylpropanoate
CID 22925260
4-(2-aminoethyl)-1-(4-methylphenyl)heptan-1-one
CID 116582789
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
7-amino-1-(1-benzothiophen-3-yl)-5-ethylheptan-2-one
CID 116578159
2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one
CID 116610816
2-(thiophene-3-carbonyl)butanamide
CID 90985419
6-amino-1-(cyclohexen-1-yl)-4-ethylhexan-1-one
CID 106655401
3-butoxy-1-thiophen-3-ylpropan-1-one
CID 115001826
6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114736731
6-amino-4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)hexan-1-one
CID 103434856
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one?
The IUPAC name of 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one (CID 116578135) is 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one.
What is the SMILES notation for 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one?
The canonical SMILES for 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one is CCC(CCN)CCC(=O)c1ccsc1.
What is the InChIKey of 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one?
The InChIKey is LIPUNFLAVDCBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-10(5-7-13)3-4-12(14)11-6-8-15-9-11/h6,8-10H,2-5,7,13H2,1H3.
What are the key properties of 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one?
6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one has a molecular weight of 225.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one is sourced from PubChem (CID 116578135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).