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

C9H14N2O2S — CID 61122152

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(N2CCCS2(=O)=O)CCCC1
InChIInChI=1S/C9H14N2O2S/c10-8-9(4-1-2-5-9)11-6-3-7-14(11,12)13/h1-7H2
InChIKeyCRSWIZRVMGAZEK-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.86
Rot. Bonds1

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

1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile (PubChem CID 61122152) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile
PubChem CID61122152
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(N2CCCS2(=O)=O)CCCC1
InChIInChI=1S/C9H14N2O2S/c10-8-9(4-1-2-5-9)11-6-3-7-14(11,12)13/h1-7H2
InChIKeyCRSWIZRVMGAZEK-UHFFFAOYSA-N
XLogP0.86
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.86
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)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile (CID 61122152) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile is N#CC1(N2CCCS2(=O)=O)CCCC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is CRSWIZRVMGAZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c10-8-9(4-1-2-5-9)11-6-3-7-14(11,12)13/h1-7H2.
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 214.29 g/mol, XLogP of 0.86, 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)cyclopentane-1-carbonitrile is sourced from PubChem (CID 61122152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).