N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride

C9H14BrClN2OS — CID 119498604

IUPACN-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C9H13BrN2OS.ClH/c1-6(11)4-5-12-9(13)7-2-3-8(10)14-7;/h2-3,6H,4-5,11H2,1H3,(H,12,13);1H
InChIKeyYXYOSVXPVBVTSE-UHFFFAOYSA-N
MW313.65 g/mol
LogP2.40
Rot. Bonds4

About N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride

N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride (PubChem CID 119498604) has the molecular formula C9H14BrClN2OS and a molecular weight of 313.65 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
PubChem CID119498604
Molecular FormulaC9H14BrClN2OS
Molecular Weight313.65 g/mol
Exact Mass311.97
IUPAC NameN-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C9H13BrN2OS.ClH/c1-6(11)4-5-12-9(13)7-2-3-8(10)14-7;/h2-3,6H,4-5,11H2,1H3,(H,12,13);1H
InChIKeyYXYOSVXPVBVTSE-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.65
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
CID 62666717
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
5-bromo-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627914
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CID 84545370

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride (CID 119498604) is N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride is CC(N)CCNC(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride?
The InChIKey is YXYOSVXPVBVTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS.ClH/c1-6(11)4-5-12-9(13)7-2-3-8(10)14-7;/h2-3,6H,4-5,11H2,1H3,(H,12,13);1H.
What are the key properties of N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride?
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride has a molecular weight of 313.65 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119498604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).