2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide

C9H9Br2NO2S — CID 103881099

IUPAC2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1cc(Br)sc1Br
InChIInChI=1S/C9H9Br2NO2S/c10-6-3-5(7(11)15-6)8(14)12-9(4-13)1-2-9/h3,13H,1-2,4H2,(H,12,14)
InChIKeyOMSIOJPKMFHCMN-UHFFFAOYSA-N
MW355.05 g/mol
LogP2.53
Rot. Bonds3

About 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide

2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide (PubChem CID 103881099) has the molecular formula C9H9Br2NO2S and a molecular weight of 355.05 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
PubChem CID103881099
Molecular FormulaC9H9Br2NO2S
Molecular Weight355.05 g/mol
Exact Mass352.87
IUPAC Name2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1cc(Br)sc1Br
InChIInChI=1S/C9H9Br2NO2S/c10-6-3-5(7(11)15-6)8(14)12-9(4-13)1-2-9/h3,13H,1-2,4H2,(H,12,14)
InChIKeyOMSIOJPKMFHCMN-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide (CID 103881099) is 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide is O=C(NC1(CO)CC1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is OMSIOJPKMFHCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2S/c10-6-3-5(7(11)15-6)8(14)12-9(4-13)1-2-9/h3,13H,1-2,4H2,(H,12,14).
What are the key properties of 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide?
2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-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 2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 103881099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).