1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile

C11H18N2O2S — CID 61122154

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C11H18N2O2S/c1-10-3-5-11(9-12,6-4-10)13-7-2-8-16(13,14)15/h10H,2-8H2,1H3
InChIKeyMHVIJBXFXFESDL-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.49
Rot. Bonds1

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile

1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile (PubChem CID 61122154) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile
PubChem CID61122154
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C11H18N2O2S/c1-10-3-5-11(9-12,6-4-10)13-7-2-8-16(13,14)15/h10H,2-8H2,1H3
InChIKeyMHVIJBXFXFESDL-UHFFFAOYSA-N
XLogP1.49
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile (CID 61122154) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is MHVIJBXFXFESDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-10-3-5-11(9-12,6-4-10)13-7-2-8-16(13,14)15/h10H,2-8H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 242.34 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 61122154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).