(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine

C12H18BrNS — CID 171203284

IUPAC(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
SMILESCc1cc([C@H](N)C2CCCCC2)sc1Br
InChIInChI=1S/C12H18BrNS/c1-8-7-10(15-12(8)13)11(14)9-5-3-2-4-6-9/h7,9,11H,2-6,14H2,1H3/t11-/m1/s1
InChIKeyKWRWNEGMCFBMLL-LLVKDONJSA-N
MW288.25 g/mol
LogP4.40
Rot. Bonds2

About (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine

(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine (PubChem CID 171203284) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
PubChem CID171203284
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
SMILESCc1cc([C@H](N)C2CCCCC2)sc1Br
InChIInChI=1S/C12H18BrNS/c1-8-7-10(15-12(8)13)11(14)9-5-3-2-4-6-9/h7,9,11H,2-6,14H2,1H3/t11-/m1/s1
InChIKeyKWRWNEGMCFBMLL-LLVKDONJSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.40
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
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(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
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188
cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
CID 115778964
(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol
CID 79991365
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 79991112
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
CID 171203275

Frequently Asked Questions

What is the IUPAC name of (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine?
The IUPAC name of (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine (CID 171203284) is (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine.
What is the SMILES notation for (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine?
The canonical SMILES for (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine is Cc1cc([C@H](N)C2CCCCC2)sc1Br.
What is the InChIKey of (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine?
The InChIKey is KWRWNEGMCFBMLL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-8-7-10(15-12(8)13)11(14)9-5-3-2-4-6-9/h7,9,11H,2-6,14H2,1H3/t11-/m1/s1.
What are the key properties of (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine?
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine has a molecular weight of 288.25 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine is sourced from PubChem (CID 171203284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).