N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide

C13H21ClN2OS — CID 119665756

IUPACN-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide
SMILESCCCCC(CN)NC(=O)C(C)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-3-4-5-10(8-15)16-13(17)9(2)11-6-7-12(14)18-11/h6-7,9-10H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyHVBMXCVEPPJEET-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.14
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide

N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide (PubChem CID 119665756) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide
PubChem CID119665756
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC NameN-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide
SMILESCCCCC(CN)NC(=O)C(C)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-3-4-5-10(8-15)16-13(17)9(2)11-6-7-12(14)18-11/h6-7,9-10H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyHVBMXCVEPPJEET-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide 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

N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119613918
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635
(2S)-2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]hexanoic acid
CID 107145690
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
2-[2-(5-chlorothiophen-2-yl)propanoylamino]-2-methylbutanoic acid
CID 120518542
(3S)-3-(4-chlorophenyl)-3-[2-(5-chlorothiophen-2-yl)propanoylamino]propanoic acid
CID 120531575
(E)-2-[2-(5-chlorothiophen-2-yl)propanoylamino]hex-4-enoic acid
CID 120693743
2-[2-(5-chlorothiophen-2-yl)propanoylamino]-3-cyclopropylpropanoic acid
CID 120535867
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119668459
N-(1-aminohexan-2-yl)-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119667896
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119665599

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide (CID 119665756) is N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide is CCCCC(CN)NC(=O)C(C)c1ccc(Cl)s1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is HVBMXCVEPPJEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-3-4-5-10(8-15)16-13(17)9(2)11-6-7-12(14)18-11/h6-7,9-10H,3-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide?
N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 288.84 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 119665756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).