(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride

C9H13BrClNS — CID 171211024

IUPAC(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1sccc1Br)C1CCC1
InChIInChI=1S/C9H12BrNS.ClH/c10-7-4-5-12-9(7)8(11)6-2-1-3-6;/h4-6,8H,1-3,11H2;1H/t8-;/m1./s1
InChIKeyMEAVSVGHUUYYDI-DDWIOCJRSA-N
MW282.63 g/mol
LogP3.73
Rot. Bonds2

About (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride

(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride (PubChem CID 171211024) has the molecular formula C9H13BrClNS and a molecular weight of 282.63 g/mol. Its IUPAC name is (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
PubChem CID171211024
Molecular FormulaC9H13BrClNS
Molecular Weight282.63 g/mol
Exact Mass280.96
IUPAC Name(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1sccc1Br)C1CCC1
InChIInChI=1S/C9H12BrNS.ClH/c10-7-4-5-12-9(7)8(11)6-2-1-3-6;/h4-6,8H,1-3,11H2;1H/t8-;/m1./s1
InChIKeyMEAVSVGHUUYYDI-DDWIOCJRSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.63
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
CID 80536056
3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine
CID 112565383
2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol
CID 130360823
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
(3-bromothiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018106
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
3-[bromo-(3-bromothiophen-2-yl)methyl]oxane
CID 80536906
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099

Frequently Asked Questions

What is the IUPAC name of (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride?
The IUPAC name of (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride (CID 171211024) is (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride is Cl.N[C@@H](c1sccc1Br)C1CCC1.
What is the InChIKey of (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride?
The InChIKey is MEAVSVGHUUYYDI-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H12BrNS.ClH/c10-7-4-5-12-9(7)8(11)6-2-1-3-6;/h4-6,8H,1-3,11H2;1H/t8-;/m1./s1.
What are the key properties of (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride?
(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride has a molecular weight of 282.63 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride is sourced from PubChem (CID 171211024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).