5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide

C11H14BrNOS2 — CID 107271657

IUPAC5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
SMILESCSC1(CNC(=O)c2ccc(Br)s2)CCC1
InChIInChI=1S/C11H14BrNOS2/c1-15-11(5-2-6-11)7-13-10(14)8-3-4-9(12)16-8/h3-4H,2,5-7H2,1H3,(H,13,14)
InChIKeyGSCAYAIAMZUXGI-UHFFFAOYSA-N
MW320.28 g/mol
LogP3.53
Rot. Bonds4

About 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide

5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide (PubChem CID 107271657) has the molecular formula C11H14BrNOS2 and a molecular weight of 320.28 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
PubChem CID107271657
Molecular FormulaC11H14BrNOS2
Molecular Weight320.28 g/mol
Exact Mass318.97
IUPAC Name5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
SMILESCSC1(CNC(=O)c2ccc(Br)s2)CCC1
InChIInChI=1S/C11H14BrNOS2/c1-15-11(5-2-6-11)7-13-10(14)8-3-4-9(12)16-8/h3-4H,2,5-7H2,1H3,(H,13,14)
InChIKeyGSCAYAIAMZUXGI-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364247
5-bromo-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
CID 107299384
5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 115271454
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294
4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
CID 114115857
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114115852
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
CID 79846619
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 30255015
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide (CID 107271657) is 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide is CSC1(CNC(=O)c2ccc(Br)s2)CCC1.
What is the InChIKey of 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide?
The InChIKey is GSCAYAIAMZUXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS2/c1-15-11(5-2-6-11)7-13-10(14)8-3-4-9(12)16-8/h3-4H,2,5-7H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide?
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide has a molecular weight of 320.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 107271657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).