N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide

C10H13BrN2OS — CID 115301004

IUPACN-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide
SMILESNC(CNC(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C10H13BrN2OS/c11-7-3-4-15-9(7)10(14)13-5-8(12)6-1-2-6/h3-4,6,8H,1-2,5,12H2,(H,13,14)
InChIKeyXGWJXTXFUQMNFO-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.98
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide

N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide (PubChem CID 115301004) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide
PubChem CID115301004
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC NameN-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide
SMILESNC(CNC(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C10H13BrN2OS/c11-7-3-4-15-9(7)10(14)13-5-8(12)6-1-2-6/h3-4,6,8H,1-2,5,12H2,(H,13,14)
InChIKeyXGWJXTXFUQMNFO-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide
CID 111426282
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
N-(2-amino-2-cyclopropylethyl)thiophene-2-carboxamide
CID 115301080
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
3-bromo-N-(4-bromo-2-methylbutyl)thiophene-2-carboxamide
CID 114316813
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
N-(2-amino-2-cyclopropylethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 115301067
N-(2-amino-2-cyclopropylethyl)thiophene-3-carboxamide
CID 115301128
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65218001
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide (CID 115301004) is N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide is NC(CNC(=O)c1sccc1Br)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide?
The InChIKey is XGWJXTXFUQMNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c11-7-3-4-15-9(7)10(14)13-5-8(12)6-1-2-6/h3-4,6,8H,1-2,5,12H2,(H,13,14).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide?
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide has a molecular weight of 289.20 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-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 115301004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).