6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile

C10H20N2OS — CID 106714842

IUPAC6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCS(=O)CCN
InChIInChI=1S/C10H20N2OS/c1-10(2,9-12)5-3-4-7-14(13)8-6-11/h3-8,11H2,1-2H3
InChIKeyJARMVDGDOLKHLP-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.41
Rot. Bonds7

About 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile

6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile (PubChem CID 106714842) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile
PubChem CID106714842
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCS(=O)CCN
InChIInChI=1S/C10H20N2OS/c1-10(2,9-12)5-3-4-7-14(13)8-6-11/h3-8,11H2,1-2H3
InChIKeyJARMVDGDOLKHLP-UHFFFAOYSA-N
XLogP1.41
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-Aminoethylsulfanyl)-2,2-dimethylpentanenitrile
CID 65256181
5-(3-Aminopropylsulfanyl)-2,2-dimethylpentanenitrile
CID 66217325
5-(1-Aminopropan-2-ylsulfanyl)-2,2-dimethylpentanenitrile
CID 66219584
5-(2-Aminopropylsulfanyl)-2,2-dimethylpentanenitrile
CID 66220207
5-(3-Amino-2-methylpropyl)sulfanyl-2,2-dimethylpentanenitrile
CID 66227208
5-(2-Aminobutylsulfanyl)-2,2-dimethylpentanenitrile
CID 66227991
5-(4-Aminobutan-2-ylsulfanyl)-2,2-dimethylpentanenitrile
CID 66228598
5-(3-Aminobutylsulfanyl)-2,2-dimethylpentanenitrile
CID 66233474
4-(2-Aminoethylsulfonyl)-2,2-dimethylbutanenitrile
CID 81174211
4-(2-Aminoethylsulfinyl)-2,2-dimethylbutanenitrile
CID 81175631
2-[1-(2-Aminoethylsulfinylmethyl)cyclopropyl]acetonitrile
CID 81175749
5-(2-Aminoethylsulfonyl)-2,2-dimethylpentanenitrile
CID 81176369

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile (CID 106714842) is 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCS(=O)CCN.
What is the InChIKey of 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile?
The InChIKey is JARMVDGDOLKHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(2,9-12)5-3-4-7-14(13)8-6-11/h3-8,11H2,1-2H3.
What are the key properties of 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile?
6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile has a molecular weight of 216.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106714842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).