N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride

C9H14BrClN2OS — CID 119583431

IUPACN-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1sccc1Br.Cl
InChIInChI=1S/C9H13BrN2OS.ClH/c1-6(5-11)12(2)9(13)8-7(10)3-4-14-8;/h3-4,6H,5,11H2,1-2H3;1H
InChIKeySQGCNMNEXSLESD-UHFFFAOYSA-N
MW313.65 g/mol
LogP2.35
Rot. Bonds3

About N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 119583431) has the molecular formula C9H14BrClN2OS and a molecular weight of 313.65 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
PubChem CID119583431
Molecular FormulaC9H14BrClN2OS
Molecular Weight313.65 g/mol
Exact Mass311.97
IUPAC NameN-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1sccc1Br.Cl
InChIInChI=1S/C9H13BrN2OS.ClH/c1-6(5-11)12(2)9(13)8-7(10)3-4-14-8;/h3-4,6H,5,11H2,1-2H3;1H
InChIKeySQGCNMNEXSLESD-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.65
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride (CID 119583431) is N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1sccc1Br.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is SQGCNMNEXSLESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS.ClH/c1-6(5-11)12(2)9(13)8-7(10)3-4-14-8;/h3-4,6H,5,11H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 313.65 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119583431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).