4-amino-1-thiophen-2-ylpentan-1-one

C9H13NOS — CID 116571816

IUPAC4-amino-1-thiophen-2-ylpentan-1-one
SMILESCC(N)CCC(=O)c1cccs1
InChIInChI=1S/C9H13NOS/c1-7(10)4-5-8(11)9-3-2-6-12-9/h2-3,6-7H,4-5,10H2,1H3
InChIKeyNAWHFQNPTGZSBY-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.06
Rot. Bonds4

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

4-amino-1-thiophen-2-ylpentan-1-one (PubChem CID 116571816) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-amino-1-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-thiophen-2-ylpentan-1-one
PubChem CID116571816
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4-amino-1-thiophen-2-ylpentan-1-one
SMILESCC(N)CCC(=O)c1cccs1
InChIInChI=1S/C9H13NOS/c1-7(10)4-5-8(11)9-3-2-6-12-9/h2-3,6-7H,4-5,10H2,1H3
InChIKeyNAWHFQNPTGZSBY-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-thiophen-2-ylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1-thiophen-2-ylpentan-1-one
CID 105081586
(2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate
CID 175470777
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
4-(2-aminoethyl)-5,5-dimethyl-1-thiophen-2-ylhexan-1-one
CID 116578558
N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119657257
methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
CID 2064474
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
CID 116571604
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-thiophen-2-ylpentan-1-one?
The IUPAC name of 4-amino-1-thiophen-2-ylpentan-1-one (CID 116571816) is 4-amino-1-thiophen-2-ylpentan-1-one.
What is the SMILES notation for 4-amino-1-thiophen-2-ylpentan-1-one?
The canonical SMILES for 4-amino-1-thiophen-2-ylpentan-1-one is CC(N)CCC(=O)c1cccs1.
What is the InChIKey of 4-amino-1-thiophen-2-ylpentan-1-one?
The InChIKey is NAWHFQNPTGZSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7(10)4-5-8(11)9-3-2-6-12-9/h2-3,6-7H,4-5,10H2,1H3.
What are the key properties of 4-amino-1-thiophen-2-ylpentan-1-one?
4-amino-1-thiophen-2-ylpentan-1-one has a molecular weight of 183.28 g/mol, XLogP of 2.06, 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-ylpentan-1-one is sourced from PubChem (CID 116571816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).