N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride

C10H16Cl2N2OS — CID 119785493

IUPACN-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCC(NC(=O)CNC)c1ccc(Cl)s1.Cl
InChIInChI=1S/C10H15ClN2OS.ClH/c1-3-7(13-10(14)6-12-2)8-4-5-9(11)15-8;/h4-5,7,12H,3,6H2,1-2H3,(H,13,14);1H
InChIKeyXNUJCLPEYBHVEW-UHFFFAOYSA-N
MW283.22 g/mol
LogP2.61
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride

N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119785493) has the molecular formula C10H16Cl2N2OS and a molecular weight of 283.22 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119785493
Molecular FormulaC10H16Cl2N2OS
Molecular Weight283.22 g/mol
Exact Mass282.04
IUPAC NameN-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride
SMILESCCC(NC(=O)CNC)c1ccc(Cl)s1.Cl
InChIInChI=1S/C10H15ClN2OS.ClH/c1-3-7(13-10(14)6-12-2)8-4-5-9(11)15-8;/h4-5,7,12H,3,6H2,1-2H3,(H,13,14);1H
InChIKeyXNUJCLPEYBHVEW-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
CID 119324709
2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120989904
4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002220
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
N-[1-(5-chlorothiophen-2-yl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726040
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
CID 95509635
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
methyl 2-[(5-chlorothiophen-2-yl)-(methylamino)methyl]butanoate
CID 116960408

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride (CID 119785493) is N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride is CCC(NC(=O)CNC)c1ccc(Cl)s1.Cl.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is XNUJCLPEYBHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS.ClH/c1-3-7(13-10(14)6-12-2)8-4-5-9(11)15-8;/h4-5,7,12H,3,6H2,1-2H3,(H,13,14);1H.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride?
N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 283.22 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)propyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119785493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).