3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide

C9H11BrN2OS — CID 115161279

IUPAC3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)Nc2ccc(Br)s2)C1
InChIInChI=1S/C9H11BrN2OS/c10-7-1-2-8(14-7)12-9(13)5-3-6(11)4-5/h1-2,5-6H,3-4,11H2,(H,12,13)
InChIKeyBDQYZKWYIJMCRG-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.19
Rot. Bonds2

About 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide

3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide (PubChem CID 115161279) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide
PubChem CID115161279
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC Name3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)Nc2ccc(Br)s2)C1
InChIInChI=1S/C9H11BrN2OS/c10-7-1-2-8(14-7)12-9(13)5-3-6(11)4-5/h1-2,5-6H,3-4,11H2,(H,12,13)
InChIKeyBDQYZKWYIJMCRG-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
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3-amino-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115161265
4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60849806
5-(cyclopent-3-ene-1-carbonylamino)thiophene-2-carboxylic acid
CID 64767352
1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea
CID 117235224
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
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methyl 2-[(5-bromothiophen-2-yl)carbamoyl]butanoate
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CID 18135424

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide (CID 115161279) is 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide is NC1CC(C(=O)Nc2ccc(Br)s2)C1.
What is the InChIKey of 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide?
The InChIKey is BDQYZKWYIJMCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c10-7-1-2-8(14-7)12-9(13)5-3-6(11)4-5/h1-2,5-6H,3-4,11H2,(H,12,13).
What are the key properties of 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide?
3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide has a molecular weight of 275.17 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115161279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).