N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide

C12H17ClN2OS — CID 119613918

IUPACN-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)NC(CN)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-7(10-4-5-11(13)17-10)12(16)15-9(6-14)8-2-3-8/h4-5,7-9H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyRTEMXXZMMWKZFV-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.36
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide

N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide (PubChem CID 119613918) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide
PubChem CID119613918
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide
SMILESCC(C(=O)NC(CN)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-7(10-4-5-11(13)17-10)12(16)15-9(6-14)8-2-3-8/h4-5,7-9H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyRTEMXXZMMWKZFV-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)propanoylamino]-3-cyclopropylpropanoic acid
CID 120535867
N-(2-amino-1-cyclopropylethyl)-5-chlorothiophene-2-carboxamide;hydrochloride
CID 119617339
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
N-(2-amino-1-cyclopropylethyl)-2,3-dimethylbutanamide
CID 65188578
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
N-(2-amino-1-cyclopropylethyl)-2-methoxypropanamide
CID 115737526
2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927
N-(2-amino-1-cyclopropylethyl)-2-(3,4-dichlorophenoxy)propanamide;hydrochloride
CID 119613645
5-chloro-N-(1-cyclohexyl-3-methylbutyl)thiophene-2-carboxamide
CID 161296581
(3S)-3-(4-chlorophenyl)-3-[2-(5-chlorothiophen-2-yl)propanoylamino]propanoic acid
CID 120531575
N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
CID 119582214
N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119640650

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide (CID 119613918) is N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide is CC(C(=O)NC(CN)C1CC1)c1ccc(Cl)s1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is RTEMXXZMMWKZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-7(10-4-5-11(13)17-10)12(16)15-9(6-14)8-2-3-8/h4-5,7-9H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide?
N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 272.80 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 119613918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).