5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile

C10H18N2O2S — CID 65257590

IUPAC5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CCCS1(=O)=O
InChIInChI=1S/C10H18N2O2S/c1-10(2,9-11)5-3-6-12-7-4-8-15(12,13)14/h3-8H2,1-2H3
InChIKeyUFXUJOPYITTXIS-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.35
Rot. Bonds4

About 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile

5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile (PubChem CID 65257590) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile
PubChem CID65257590
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CCCS1(=O)=O
InChIInChI=1S/C10H18N2O2S/c1-10(2,9-11)5-3-6-12-7-4-8-15(12,13)14/h3-8H2,1-2H3
InChIKeyUFXUJOPYITTXIS-UHFFFAOYSA-N
XLogP1.35
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile (CID 65257590) is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN1CCCS1(=O)=O.
What is the InChIKey of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile?
The InChIKey is UFXUJOPYITTXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(2,9-11)5-3-6-12-7-4-8-15(12,13)14/h3-8H2,1-2H3.
What are the key properties of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile?
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile has a molecular weight of 230.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).