(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine

C11H16BrNS — CID 130055125

IUPAC(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
SMILESN[C@H](c1sccc1Br)C1CCCCC1
InChIInChI=1S/C11H16BrNS/c12-9-6-7-14-11(9)10(13)8-4-2-1-3-5-8/h6-8,10H,1-5,13H2/t10-/m0/s1
InChIKeyMBHACIPWTBVRLT-JTQLQIEISA-N
MW274.23 g/mol
LogP4.09
Rot. Bonds2

About (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine

(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine (PubChem CID 130055125) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
PubChem CID130055125
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
SMILESN[C@H](c1sccc1Br)C1CCCCC1
InChIInChI=1S/C11H16BrNS/c12-9-6-7-14-11(9)10(13)8-4-2-1-3-5-8/h6-8,10H,1-5,13H2/t10-/m0/s1
InChIKeyMBHACIPWTBVRLT-JTQLQIEISA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171211024
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
CID 80536056
3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine
CID 112565383
(3-bromothiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018106
1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole
CID 130361062
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
CID 105327876
2-(3-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
CID 115381256
2-(3-bromothiophen-2-yl)-2-(cyclopentylamino)acetamide
CID 115380568

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine?
The IUPAC name of (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine (CID 130055125) is (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine.
What is the SMILES notation for (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine?
The canonical SMILES for (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine is N[C@H](c1sccc1Br)C1CCCCC1.
What is the InChIKey of (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine?
The InChIKey is MBHACIPWTBVRLT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16BrNS/c12-9-6-7-14-11(9)10(13)8-4-2-1-3-5-8/h6-8,10H,1-5,13H2/t10-/m0/s1.
What are the key properties of (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine?
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine has a molecular weight of 274.23 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine is sourced from PubChem (CID 130055125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).