N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide

C10H15ClN2OS — CID 119405790

IUPACN-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)NCCCN)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-7(8-3-4-9(11)15-8)10(14)13-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyJXLOCSBTYHUNCQ-UHFFFAOYSA-N
MW246.76 g/mol
LogP1.97
Rot. Bonds5

About N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide

N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide (PubChem CID 119405790) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
PubChem CID119405790
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC NameN-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)NCCCN)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-7(8-3-4-9(11)15-8)10(14)13-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3,(H,13,14)
InChIKeyJXLOCSBTYHUNCQ-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119640650
2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111825737
2-(5-chlorothiophen-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 111830053
N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119665756
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
2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120947097
1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea
CID 117235314
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide
CID 75376897
N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide
CID 119609976
2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide (CID 119405790) is N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide is CC(C(=O)NCCCN)c1ccc(Cl)s1.
What is the InChIKey of N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is JXLOCSBTYHUNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-7(8-3-4-9(11)15-8)10(14)13-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3,(H,13,14).
What are the key properties of N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide?
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 246.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 119405790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).