3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile

C11H14N2S — CID 43093243

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile
SMILESCC(C#N)CN1CCc2sccc2C1
InChIInChI=1S/C11H14N2S/c1-9(6-12)7-13-4-2-11-10(8-13)3-5-14-11/h3,5,9H,2,4,7-8H2,1H3
InChIKeyLTRRPMRXYQJGHB-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.27
Rot. Bonds2

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile (PubChem CID 43093243) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile
PubChem CID43093243
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile
SMILESCC(C#N)CN1CCc2sccc2C1
InChIInChI=1S/C11H14N2S/c1-9(6-12)7-13-4-2-11-10(8-13)3-5-14-11/h3,5,9H,2,4,7-8H2,1H3
InChIKeyLTRRPMRXYQJGHB-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanenitrile
CID 39161361
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62439650
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-1-phenylpropan-1-one
CID 62614127
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethoxypropan-2-ol
CID 63931900
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylpropanoic acid
CID 63069623
2-[4-[(2S)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]phenyl]acetonitrile
CID 94172251
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66455122
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 55069879
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
CID 62264305
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile (CID 43093243) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile is CC(C#N)CN1CCc2sccc2C1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile?
The InChIKey is LTRRPMRXYQJGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-9(6-12)7-13-4-2-11-10(8-13)3-5-14-11/h3,5,9H,2,4,7-8H2,1H3.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile has a molecular weight of 206.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropanenitrile is sourced from PubChem (CID 43093243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).