5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide

C9H10BrNO2S — CID 115764922

IUPAC5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1csc(Br)c1
InChIInChI=1S/C9H10BrNO2S/c10-7-3-6(4-14-7)8(13)11-9(5-12)1-2-9/h3-4,12H,1-2,5H2,(H,11,13)
InChIKeyOMXQUQLJXQKJBG-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.77
Rot. Bonds3

About 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide

5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide (PubChem CID 115764922) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
PubChem CID115764922
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1csc(Br)c1
InChIInChI=1S/C9H10BrNO2S/c10-7-3-6(4-14-7)8(13)11-9(5-12)1-2-9/h3-4,12H,1-2,5H2,(H,11,13)
InChIKeyOMXQUQLJXQKJBG-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-Bromothiophene-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796326
5-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-carboxamide
CID 103750205
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
CID 103770505
2-Bromo-n-[1-(difluoromethyl)cyclopropyl]thiophene-3-carboxamide
CID 164648865
5-bromo-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 43417449
5-bromo-N-tert-butylthiophene-3-carboxamide
CID 37132948
2-[(5-Bromothiophene-3-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 43360381
5-bromo-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 43417549
5-bromo-N-(1-hydroxybutan-2-yl)thiophene-3-carboxamide
CID 43417856
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-(1-hydroxypropan-2-yl)thiophene-3-carboxamide
CID 43418559
5-bromo-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 43424433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide (CID 115764922) is 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide is O=C(NC1(CO)CC1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is OMXQUQLJXQKJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-7-3-6(4-14-7)8(13)11-9(5-12)1-2-9/h3-4,12H,1-2,5H2,(H,11,13).
What are the key properties of 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide?
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide has a molecular weight of 276.15 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 115764922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).