(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine

C10H14BrNS — CID 79996891

IUPAC(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
SMILESCc1cc(C(N)C2CCC2)sc1Br
InChIInChI=1S/C10H14BrNS/c1-6-5-8(13-10(6)11)9(12)7-3-2-4-7/h5,7,9H,2-4,12H2,1H3
InChIKeyVKVCFZWUCOALHS-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.62
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine

(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine (PubChem CID 79996891) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
PubChem CID79996891
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
SMILESCc1cc(C(N)C2CCC2)sc1Br
InChIInChI=1S/C10H14BrNS/c1-6-5-8(13-10(6)11)9(12)7-3-2-4-7/h5,7,9H,2-4,12H2,1H3
InChIKeyVKVCFZWUCOALHS-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314278
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
CID 115778964
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol
CID 79991365
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
CID 171203275
1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 79991112

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine (CID 79996891) is (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine is Cc1cc(C(N)C2CCC2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine?
The InChIKey is VKVCFZWUCOALHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-6-5-8(13-10(6)11)9(12)7-3-2-4-7/h5,7,9H,2-4,12H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine?
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine has a molecular weight of 260.20 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine is sourced from PubChem (CID 79996891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).