4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one

C12H19NO2S — CID 116593795

IUPAC4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one
SMILESCOCCCC(N)C(=O)CCc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-15-7-2-3-11(13)12(14)5-4-10-6-8-16-9-10/h6,8-9,11H,2-5,7,13H2,1H3
InChIKeyVVZJOFDVXABELM-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.00
Rot. Bonds8

About 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one

4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one (PubChem CID 116593795) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one.

Molecular Properties

Compound Name4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one
PubChem CID116593795
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one
SMILESCOCCCC(N)C(=O)CCc1ccsc1
InChIInChI=1S/C12H19NO2S/c1-15-7-2-3-11(13)12(14)5-4-10-6-8-16-9-10/h6,8-9,11H,2-5,7,13H2,1H3
InChIKeyVVZJOFDVXABELM-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one
CID 116708679
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
3-amino-1-methoxy-7-phenylheptan-4-one
CID 116567219
3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
2-amino-5-methoxy-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 81083425
5-amino-1-ethylsulfonyl-8-methoxyoctan-4-one
CID 116593760
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
3-methoxy-2-(thiophen-3-ylmethylamino)propanamide
CID 115774705

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one?
The IUPAC name of 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one (CID 116593795) is 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one.
What is the SMILES notation for 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one?
The canonical SMILES for 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one is COCCCC(N)C(=O)CCc1ccsc1.
What is the InChIKey of 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one?
The InChIKey is VVZJOFDVXABELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-15-7-2-3-11(13)12(14)5-4-10-6-8-16-9-10/h6,8-9,11H,2-5,7,13H2,1H3.
What are the key properties of 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one?
4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one has a molecular weight of 241.36 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one is sourced from PubChem (CID 116593795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).