(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine

C9H12BrNS — CID 130739172

IUPAC(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1sccc1Br
InChIInChI=1S/C9H12BrNS/c10-7-3-4-12-9(7)8(11)5-6-1-2-6/h3-4,6,8H,1-2,5,11H2/t8-/m0/s1
InChIKeyJMMHNWMYMZYYKT-QMMMGPOBSA-N
MW246.17 g/mol
LogP3.31
Rot. Bonds3

About (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine

(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine (PubChem CID 130739172) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
PubChem CID130739172
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1sccc1Br
InChIInChI=1S/C9H12BrNS/c10-7-3-4-12-9(7)8(11)5-6-1-2-6/h3-4,6,8H,1-2,5,11H2/t8-/m0/s1
InChIKeyJMMHNWMYMZYYKT-QMMMGPOBSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
1-(3-bromothiophen-2-yl)-2-(2,2-difluorocyclopropyl)ethanamine
CID 164660128
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 80535161
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171211024
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105327985
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637
(3S)-3-amino-3-(3-bromothiophen-2-yl)propanenitrile
CID 131189229
1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 115380480

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine?
The IUPAC name of (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine (CID 130739172) is (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine.
What is the SMILES notation for (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine?
The canonical SMILES for (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine is N[C@@H](CC1CC1)c1sccc1Br.
What is the InChIKey of (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine?
The InChIKey is JMMHNWMYMZYYKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12BrNS/c10-7-3-4-12-9(7)8(11)5-6-1-2-6/h3-4,6,8H,1-2,5,11H2/t8-/m0/s1.
What are the key properties of (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine?
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine has a molecular weight of 246.17 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine is sourced from PubChem (CID 130739172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).