2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride

C12H11ClN2S — CID 171221604

IUPAC2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1[C@@H](N)c1cccs1
InChIInChI=1S/C12H10N2S.ClH/c13-8-9-4-1-2-5-10(9)12(14)11-6-3-7-15-11;/h1-7,12H,14H2;1H/t12-;/m1./s1
InChIKeyTYQURJUSFCHUMF-UTONKHPSSA-N
MW250.75 g/mol
LogP3.09
Rot. Bonds2

About 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride

2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride (PubChem CID 171221604) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride
PubChem CID171221604
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1[C@@H](N)c1cccs1
InChIInChI=1S/C12H10N2S.ClH/c13-8-9-4-1-2-5-10(9)12(14)11-6-3-7-15-11;/h1-7,12H,14H2;1H/t12-;/m1./s1
InChIKeyTYQURJUSFCHUMF-UTONKHPSSA-N
XLogP3.09
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-amino(thiophen-2-yl)methyl]-2-hydroxybenzonitrile;hydrochloride
CID 171259250
2-[amino(phenyl)methyl]benzonitrile;hydrochloride
CID 172834472
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
5-[(S)-amino(thiophen-2-yl)methyl]-2-fluorobenzonitrile;hydrochloride
CID 171210985
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
2-[amino(hydroxy)methyl]benzonitrile
CID 22991713
2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride
CID 171221581
(R)-(2-tert-butylsulfanylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171234523
2-[(1S)-1-amino-2-cyanoethyl]benzonitrile;hydrochloride
CID 171259902
2-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171221589
2-[(1S)-1-amino-2,2,2-trifluoroethyl]benzonitrile;hydrochloride
CID 162309012

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride?
The IUPAC name of 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride (CID 171221604) is 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride?
The canonical SMILES for 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride is Cl.N#Cc1ccccc1[C@@H](N)c1cccs1.
What is the InChIKey of 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride?
The InChIKey is TYQURJUSFCHUMF-UTONKHPSSA-N. The full InChI is InChI=1S/C12H10N2S.ClH/c13-8-9-4-1-2-5-10(9)12(14)11-6-3-7-15-11;/h1-7,12H,14H2;1H/t12-;/m1./s1.
What are the key properties of 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride?
2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(thiophen-2-yl)methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 171221604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).