4-amino-1-thiophen-2-ylbutan-1-one

C8H11NOS — CID 55267003

IUPAC4-amino-1-thiophen-2-ylbutan-1-one
SMILESNCCCC(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3,5,9H2
InChIKeyWTDNBFVMPRVJGN-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.67
Rot. Bonds4

About 4-amino-1-thiophen-2-ylbutan-1-one

4-amino-1-thiophen-2-ylbutan-1-one (PubChem CID 55267003) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-amino-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-thiophen-2-ylbutan-1-one
PubChem CID55267003
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name4-amino-1-thiophen-2-ylbutan-1-one
SMILESNCCCC(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3,5,9H2
InChIKeyWTDNBFVMPRVJGN-UHFFFAOYSA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796400
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
2-(3-aminopropylsulfonyl)-1-thiophen-2-ylethanone
CID 82180145
4-(2-aminoethyl)-5,5-dimethyl-1-thiophen-2-ylhexan-1-one
CID 116578558
6,6-dimethyl-1-thiophen-2-ylheptane-1,5-dione
CID 15128597
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397
1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
CID 64638878
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-amino-1-thiophen-2-ylbutan-1-one (CID 55267003) is 4-amino-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-amino-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-amino-1-thiophen-2-ylbutan-1-one is NCCCC(=O)c1cccs1.
What is the InChIKey of 4-amino-1-thiophen-2-ylbutan-1-one?
The InChIKey is WTDNBFVMPRVJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3,5,9H2.
What are the key properties of 4-amino-1-thiophen-2-ylbutan-1-one?
4-amino-1-thiophen-2-ylbutan-1-one has a molecular weight of 169.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 55267003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).