2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile

C12H20N2O2S — CID 79580437

IUPAC2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile
SMILESCC1CN(C(C#N)C2CCCCC2)S(=O)(=O)C1
InChIInChI=1S/C12H20N2O2S/c1-10-8-14(17(15,16)9-10)12(7-13)11-5-3-2-4-6-11/h10-12H,2-6,8-9H2,1H3
InChIKeyVSUOTCBUHBEOSB-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.74
Rot. Bonds2

About 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile

2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile (PubChem CID 79580437) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile
PubChem CID79580437
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile
SMILESCC1CN(C(C#N)C2CCCCC2)S(=O)(=O)C1
InChIInChI=1S/C12H20N2O2S/c1-10-8-14(17(15,16)9-10)12(7-13)11-5-3-2-4-6-11/h10-12H,2-6,8-9H2,1H3
InChIKeyVSUOTCBUHBEOSB-UHFFFAOYSA-N
XLogP1.74
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)butanenitrile
CID 79580018
2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile
CID 62933976
3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanenitrile
CID 79579598
2-cyclopentyl-2-piperidin-1-ylacetonitrile
CID 62071262
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propane-1,3-diamine
CID 127013325
2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile
CID 121209833
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylsulfonylbutanoic acid
CID 79580426
2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentan-1-ol
CID 131043202
2-cyclohexylpropanedinitrile;methane
CID 142914800
(2S)-2-cyclohexyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 94544640
2-cyclohexylpropanedinitrile
CID 11171058
3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 79580516

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile (CID 79580437) is 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile is CC1CN(C(C#N)C2CCCCC2)S(=O)(=O)C1.
What is the InChIKey of 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile?
The InChIKey is VSUOTCBUHBEOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10-8-14(17(15,16)9-10)12(7-13)11-5-3-2-4-6-11/h10-12H,2-6,8-9H2,1H3.
What are the key properties of 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile?
2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile has a molecular weight of 256.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile is sourced from PubChem (CID 79580437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).