(2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile

C7H6Cl2N2S — CID 130676192

IUPAC(2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile
SMILESC[C@](N)(C#N)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl2N2S/c1-7(11,3-10)4-2-5(8)12-6(4)9/h2H,11H2,1H3/t7-/m0/s1
InChIKeyLIJYYFLOROPZLY-ZETCQYMHSA-N
MW221.11 g/mol
LogP2.75
Rot. Bonds1

About (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile

(2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile (PubChem CID 130676192) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile
PubChem CID130676192
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name(2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile
SMILESC[C@](N)(C#N)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H6Cl2N2S/c1-7(11,3-10)4-2-5(8)12-6(4)9/h2H,11H2,1H3/t7-/m0/s1
InChIKeyLIJYYFLOROPZLY-ZETCQYMHSA-N
XLogP2.75
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile
CID 30123245
methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate
CID 130649226
2-amino-2-(5-chloro-3-pyridinyl)propanenitrile
CID 167521779
2-amino-2-(3-chloro-4-pyridinyl)propanenitrile
CID 119085001
(2R)-2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
CID 130714816
2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
CID 130059435
2-amino-2-(2,5-difluorophenyl)propanenitrile
CID 16785195
(E)-3-amino-3-(2,5-dichlorothiophen-3-yl)prop-2-enenitrile
CID 107967399
(2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile
CID 130778686
3-(2,5-dichlorothiophen-3-yl)-3-methyl-N-propylbutan-1-amine
CID 79830855
3-tert-butyl-5-chlorothiophene-2-sulfonamide
CID 67523963
methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate
CID 168975344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile?
The IUPAC name of (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile (CID 130676192) is (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile.
What is the SMILES notation for (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile?
The canonical SMILES for (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile is C[C@](N)(C#N)c1cc(Cl)sc1Cl.
What is the InChIKey of (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile?
The InChIKey is LIJYYFLOROPZLY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c1-7(11,3-10)4-2-5(8)12-6(4)9/h2H,11H2,1H3/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile?
(2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile has a molecular weight of 221.11 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanenitrile is sourced from PubChem (CID 130676192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).