5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide

C13H22N2OS — CID 80527343

IUPAC5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCN)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-13(2,11-6-5-9-17-11)10-15-12(16)7-3-4-8-14/h5-6,9H,3-4,7-8,10,14H2,1-2H3,(H,15,16)
InChIKeyYAMYLTTXIYHJSO-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.27
Rot. Bonds7

About 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide

5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide (PubChem CID 80527343) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
PubChem CID80527343
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCN)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-13(2,11-6-5-9-17-11)10-15-12(16)7-3-4-8-14/h5-6,9H,3-4,7-8,10,14H2,1-2H3,(H,15,16)
InChIKeyYAMYLTTXIYHJSO-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide 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

ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate
CID 78962055
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 81312766
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115155557
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
CID 113236235
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide?
The IUPAC name of 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide (CID 80527343) is 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide.
What is the SMILES notation for 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide?
The canonical SMILES for 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide is CC(C)(CNC(=O)CCCCN)c1cccs1.
What is the InChIKey of 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide?
The InChIKey is YAMYLTTXIYHJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2,11-6-5-9-17-11)10-15-12(16)7-3-4-8-14/h5-6,9H,3-4,7-8,10,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide?
5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide has a molecular weight of 254.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide is sourced from PubChem (CID 80527343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).