2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one

C10H14ClNO2S — CID 116593659

IUPAC2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-14-6-2-3-7(12)10(13)8-4-5-9(11)15-8/h4-5,7H,2-3,6,12H2,1H3
InChIKeyFVGUKYQEAZQIQB-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.34
Rot. Bonds6

About 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one

2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one (PubChem CID 116593659) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one
PubChem CID116593659
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-14-6-2-3-7(12)10(13)8-4-5-9(11)15-8/h4-5,7H,2-3,6,12H2,1H3
InChIKeyFVGUKYQEAZQIQB-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-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

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxy-N-methylpentanamide
CID 81083116
1-(5-chlorothiophen-2-yl)-2-(4-methylpentoxy)propan-1-one
CID 43800457
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoate
CID 67455828
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-(3-methoxypropylsulfinyl)ethanone
CID 64636451
5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
CID 103877510
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
CID 62473043
2-amino-1-(3,5-difluorophenyl)-5-methoxypentan-1-one
CID 116593859
2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
CID 116567437
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one
CID 116593844

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one (CID 116593659) is 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one is COCCCC(N)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one?
The InChIKey is FVGUKYQEAZQIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-14-6-2-3-7(12)10(13)8-4-5-9(11)15-8/h4-5,7H,2-3,6,12H2,1H3.
What are the key properties of 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one?
2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one has a molecular weight of 247.75 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one is sourced from PubChem (CID 116593659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).