2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile

C11H18N2O2S — CID 61122540

IUPAC2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile
SMILESN#CC(C1CCCCC1)N1CCCS1(=O)=O
InChIInChI=1S/C11H18N2O2S/c12-9-11(10-5-2-1-3-6-10)13-7-4-8-16(13,14)15/h10-11H,1-8H2
InChIKeyRTIIWYPWRUSPHV-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.49
Rot. Bonds2

About 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile

2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile (PubChem CID 61122540) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile
PubChem CID61122540
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile
SMILESN#CC(C1CCCCC1)N1CCCS1(=O)=O
InChIInChI=1S/C11H18N2O2S/c12-9-11(10-5-2-1-3-6-10)13-7-4-8-16(13,14)15/h10-11H,1-8H2
InChIKeyRTIIWYPWRUSPHV-UHFFFAOYSA-N
XLogP1.49
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile (CID 61122540) is 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile is N#CC(C1CCCCC1)N1CCCS1(=O)=O.
What is the InChIKey of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile?
The InChIKey is RTIIWYPWRUSPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-9-11(10-5-2-1-3-6-10)13-7-4-8-16(13,14)15/h10-11H,1-8H2.
What are the key properties of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile?
2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile has a molecular weight of 242.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile is sourced from PubChem (CID 61122540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).