N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide

C9H13BrN2OS — CID 65193455

IUPACN-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide
SMILESCCC(CN)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-2-6(5-11)12-9(13)7-3-4-8(10)14-7/h3-4,6H,2,5,11H2,1H3,(H,12,13)
InChIKeyNNGNAMAXWQAGFX-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.98
Rot. Bonds4

About N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide

N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide (PubChem CID 65193455) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide
PubChem CID65193455
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC NameN-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide
SMILESCCC(CN)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-2-6(5-11)12-9(13)7-3-4-8(10)14-7/h3-4,6H,2,5,11H2,1H3,(H,12,13)
InChIKeyNNGNAMAXWQAGFX-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
5-bromo-N-hex-5-yn-3-ylthiophene-2-carboxamide
CID 115647089
N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
CID 65193940
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
N-(1-aminobutan-2-yl)-3-bromothiophene-2-carboxamide
CID 65193512
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 114305407
(2S,3S)-2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119193926
5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 95040081
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
2-[(5-bromothiophene-2-carbonyl)amino]butanedioic acid
CID 78910337

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide (CID 65193455) is N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide is CCC(CN)NC(=O)c1ccc(Br)s1.
What is the InChIKey of N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide?
The InChIKey is NNGNAMAXWQAGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-2-6(5-11)12-9(13)7-3-4-8(10)14-7/h3-4,6H,2,5,11H2,1H3,(H,12,13).
What are the key properties of N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide?
N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide has a molecular weight of 277.19 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 65193455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).