(2S)-2-(5-bromothiophen-2-yl)butan-2-amine

C8H12BrNS — CID 96660698

IUPAC(2S)-2-(5-bromothiophen-2-yl)butan-2-amine
SMILESCC[C@](C)(N)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-3-8(2,10)6-4-5-7(9)11-6/h4-5H,3,10H2,1-2H3/t8-/m0/s1
InChIKeyYPNIMYYVOQMNFX-QMMMGPOBSA-N
MW234.16 g/mol
LogP3.09
Rot. Bonds2

About (2S)-2-(5-bromothiophen-2-yl)butan-2-amine

(2S)-2-(5-bromothiophen-2-yl)butan-2-amine (PubChem CID 96660698) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is (2S)-2-(5-bromothiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-2-(5-bromothiophen-2-yl)butan-2-amine
PubChem CID96660698
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC Name(2S)-2-(5-bromothiophen-2-yl)butan-2-amine
SMILESCC[C@](C)(N)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-3-8(2,10)6-4-5-7(9)11-6/h4-5H,3,10H2,1-2H3/t8-/m0/s1
InChIKeyYPNIMYYVOQMNFX-QMMMGPOBSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)butan-2-amine
CID 82475741
2-bromo-5-(1,1-difluoropropyl)thiophene
CID 116841242
2-bromo-5-(1,1-difluoroethyl)thiophene
CID 116841527
2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine
CID 82296179
2-[1,1-bis(5-bromothiophen-2-yl)heptyl]-5-bromothiophene
CID 86053610
2-[5-(2-aminoethylsulfanylmethyl)thiophen-2-yl]butan-2-amine
CID 173420910
3-(5-bromothiophen-2-yl)-3-hydroxybutanoic acid
CID 82049863
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965
1-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-4-methylpentane-1,4-diamine
CID 115205523
2-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]benzene-1,2-diamine
CID 115124665
2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
CID 115215289
2-[(5-bromothiophen-2-yl)methyl]-2-methylbutanoic acid
CID 62740253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-bromothiophen-2-yl)butan-2-amine?
The IUPAC name of (2S)-2-(5-bromothiophen-2-yl)butan-2-amine (CID 96660698) is (2S)-2-(5-bromothiophen-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-2-(5-bromothiophen-2-yl)butan-2-amine?
The canonical SMILES for (2S)-2-(5-bromothiophen-2-yl)butan-2-amine is CC[C@](C)(N)c1ccc(Br)s1.
What is the InChIKey of (2S)-2-(5-bromothiophen-2-yl)butan-2-amine?
The InChIKey is YPNIMYYVOQMNFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-3-8(2,10)6-4-5-7(9)11-6/h4-5H,3,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(5-bromothiophen-2-yl)butan-2-amine?
(2S)-2-(5-bromothiophen-2-yl)butan-2-amine has a molecular weight of 234.16 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-bromothiophen-2-yl)butan-2-amine is sourced from PubChem (CID 96660698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).