1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile

C10H16N2O2S — CID 61122153

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile
SMILESN#CC1(N2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C10H16N2O2S/c11-9-10(5-2-1-3-6-10)12-7-4-8-15(12,13)14/h1-8H2
InChIKeyQFWGJZYMBUNNQQ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.25
Rot. Bonds1

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile

1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile (PubChem CID 61122153) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile
PubChem CID61122153
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile
SMILESN#CC1(N2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C10H16N2O2S/c11-9-10(5-2-1-3-6-10)12-7-4-8-15(12,13)14/h1-8H2
InChIKeyQFWGJZYMBUNNQQ-UHFFFAOYSA-N
XLogP1.25
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 146019770
CID 146019770
CID 55139129
CID 55139129
CID 61122152
CID 61122152
CID 61122154
CID 61122154
CID 61122155
CID 61122155
CID 61122349
CID 61122349
CID 61122540
CID 61122540
CID 61134618
CID 61134618
CID 64413429
CID 64413429
CID 64414683
CID 64414683
CID 64471098
CID 64471098
CID 65565848
CID 65565848

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile (CID 61122153) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile is N#CC1(N2CCCS2(=O)=O)CCCCC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile?
The InChIKey is QFWGJZYMBUNNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c11-9-10(5-2-1-3-6-10)12-7-4-8-15(12,13)14/h1-8H2.
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbonitrile has a molecular weight of 228.32 g/mol, XLogP of 1.25, 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)cyclohexane-1-carbonitrile is sourced from PubChem (CID 61122153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).