4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide

C9H9Br2NO2S — CID 115877824

IUPAC4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide
SMILESO=C(NC1(CO)CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br2NO2S/c10-5-3-6(15-7(5)11)8(14)12-9(4-13)1-2-9/h3,13H,1-2,4H2,(H,12,14)
InChIKeyWMMJQZXOAPKMFE-UHFFFAOYSA-N
MW355.05 g/mol
LogP2.53
Rot. Bonds3

About 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide

4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide (PubChem CID 115877824) has the molecular formula C9H9Br2NO2S and a molecular weight of 355.05 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide
PubChem CID115877824
Molecular FormulaC9H9Br2NO2S
Molecular Weight355.05 g/mol
Exact Mass352.87
IUPAC Name4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide
SMILESO=C(NC1(CO)CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H9Br2NO2S/c10-5-3-6(15-7(5)11)8(14)12-9(4-13)1-2-9/h3,13H,1-2,4H2,(H,12,14)
InChIKeyWMMJQZXOAPKMFE-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.05
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiophene-2-carboxamide
CID 62525616
2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
CID 103881099
1-[(4,5-dibromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239155
1-[[(4,5-dibromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309059
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
CID 115764922
N-[1-(hydroxymethyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115877894
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide
CID 104857132
3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878426
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 115878236
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide (CID 115877824) is 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide is O=C(NC1(CO)CC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide?
The InChIKey is WMMJQZXOAPKMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2S/c10-5-3-6(15-7(5)11)8(14)12-9(4-13)1-2-9/h3,13H,1-2,4H2,(H,12,14).
What are the key properties of 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide has a molecular weight of 355.05 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 115877824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).