5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile

C10H20N2OS — CID 81186393

IUPAC5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCS(=O)CCCN
InChIInChI=1S/C10H20N2OS/c1-10(2,9-12)5-3-7-14(13)8-4-6-11/h3-8,11H2,1-2H3
InChIKeySHNYZLQUZVIAQE-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.41
Rot. Bonds7

About 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile

5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile (PubChem CID 81186393) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile
PubChem CID81186393
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCS(=O)CCCN
InChIInChI=1S/C10H20N2OS/c1-10(2,9-12)5-3-7-14(13)8-4-6-11/h3-8,11H2,1-2H3
InChIKeySHNYZLQUZVIAQE-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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile (CID 81186393) is 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCS(=O)CCCN.
What is the InChIKey of 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile?
The InChIKey is SHNYZLQUZVIAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(2,9-12)5-3-7-14(13)8-4-6-11/h3-8,11H2,1-2H3.
What are the key properties of 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile?
5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile 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 5-(3-aminopropylsulfinyl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 81186393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).