3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile

C11H15BrN2S — CID 116910407

IUPAC3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
SMILESCN(C)C(c1ccc(Br)s1)C(C)(C)C#N
InChIInChI=1S/C11H15BrN2S/c1-11(2,7-13)10(14(3)4)8-5-6-9(12)15-8/h5-6,10H,1-4H3
InChIKeyDZMIODSEHBIKER-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.66
Rot. Bonds3

About 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile

3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile (PubChem CID 116910407) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
PubChem CID116910407
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
SMILESCN(C)C(c1ccc(Br)s1)C(C)(C)C#N
InChIInChI=1S/C11H15BrN2S/c1-11(2,7-13)10(14(3)4)8-5-6-9(12)15-8/h5-6,10H,1-4H3
InChIKeyDZMIODSEHBIKER-UHFFFAOYSA-N
XLogP3.66
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
CID 116910406
3-(5-bromothiophen-2-yl)-2,2-dimethyl-3-(methylamino)propanenitrile
CID 116955696
3-(4-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
CID 116910433
3-[(5-bromothiophen-2-yl)-methylamino]-2,2-dimethylpropanenitrile
CID 115233901
2-(5-bromothiophen-2-yl)-2-(prop-2-ynylamino)acetonitrile
CID 62354902
(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 130708717
1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
CID 83693253
5-bromo-N-(2-cyanopropan-2-yl)-N-cyclopropylthiophene-2-sulfonamide
CID 61392309
1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62678969
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719779
5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide
CID 61126498

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile (CID 116910407) is 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile is CN(C)C(c1ccc(Br)s1)C(C)(C)C#N.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile?
The InChIKey is DZMIODSEHBIKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-11(2,7-13)10(14(3)4)8-5-6-9(12)15-8/h5-6,10H,1-4H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile?
3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile has a molecular weight of 287.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 116910407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).