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

C11H15ClN2S — CID 116910406

IUPAC3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
SMILESCN(C)C(c1ccc(Cl)s1)C(C)(C)C#N
InChIInChI=1S/C11H15ClN2S/c1-11(2,7-13)10(14(3)4)8-5-6-9(12)15-8/h5-6,10H,1-4H3
InChIKeyHNROZJOXCJOYEP-UHFFFAOYSA-N
MW242.78 g/mol
LogP3.55
Rot. Bonds3

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

3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile (PubChem CID 116910406) has the molecular formula C11H15ClN2S and a molecular weight of 242.78 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
PubChem CID116910406
Molecular FormulaC11H15ClN2S
Molecular Weight242.78 g/mol
Exact Mass242.06
IUPAC Name3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
SMILESCN(C)C(c1ccc(Cl)s1)C(C)(C)C#N
InChIInChI=1S/C11H15ClN2S/c1-11(2,7-13)10(14(3)4)8-5-6-9(12)15-8/h5-6,10H,1-4H3
InChIKeyHNROZJOXCJOYEP-UHFFFAOYSA-N
XLogP3.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
CID 116910407
3-(5-chlorothiophen-2-yl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 79136995
3-(4-bromothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile
CID 116910433
2-(5-chlorothiophen-2-yl)-3-methylbutanenitrile
CID 82076378
3-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]oxetane-3-carbonitrile
CID 116912820
3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 116910428
1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 62679931
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43439067
2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
CID 71859613
(2R)-2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
CID 97018750
4-[1-(5-chlorothiophen-2-yl)ethylamino]-3,5-difluorobenzonitrile
CID 78988488
(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246493

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile (CID 116910406) is 3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile is CN(C)C(c1ccc(Cl)s1)C(C)(C)C#N.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile?
The InChIKey is HNROZJOXCJOYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/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-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile?
3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile has a molecular weight of 242.78 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-3-(dimethylamino)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 116910406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).