3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide

C10H12BrNO2S — CID 115878426

IUPAC3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1sccc1Br
InChIInChI=1S/C10H12BrNO2S/c11-7-2-5-15-8(7)9(14)12-10(6-13)3-1-4-10/h2,5,13H,1,3-4,6H2,(H,12,14)
InChIKeyGMIBYUOUDRLPPP-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.16
Rot. Bonds3

About 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide

3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide (PubChem CID 115878426) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
PubChem CID115878426
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1sccc1Br
InChIInChI=1S/C10H12BrNO2S/c11-7-2-5-15-8(7)9(14)12-10(6-13)3-1-4-10/h2,5,13H,1,3-4,6H2,(H,12,14)
InChIKeyGMIBYUOUDRLPPP-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide
CID 114311405
3-bromo-N-[1-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 114303411
3-amino-N-[1-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 62526740
N-[1-(hydroxymethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide
CID 62519290
3-bromo-N-[4-(bromomethyl)oxan-4-yl]thiophene-2-carboxamide
CID 106300923
N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
CID 81122084
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
1-[[(3-bromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81367156
1-[[(3-bromothiophene-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309582
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62520559

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide (CID 115878426) is 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide is O=C(NC1(CO)CCC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
The InChIKey is GMIBYUOUDRLPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-7-2-5-15-8(7)9(14)12-10(6-13)3-1-4-10/h2,5,13H,1,3-4,6H2,(H,12,14).
What are the key properties of 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 115878426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).