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

C9H16N2O2S2 — CID 61122725

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(N2CCCS2(=O)=O)CCCC1
InChIInChI=1S/C9H16N2O2S2/c10-8(14)9(4-1-2-5-9)11-6-3-7-15(11,12)13/h1-7H2,(H2,10,14)
InChIKeyOLOFYFWWEWVZHM-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.62
Rot. Bonds2

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

1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide (PubChem CID 61122725) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide
PubChem CID61122725
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(N2CCCS2(=O)=O)CCCC1
InChIInChI=1S/C9H16N2O2S2/c10-8(14)9(4-1-2-5-9)11-6-3-7-15(11,12)13/h1-7H2,(H2,10,14)
InChIKeyOLOFYFWWEWVZHM-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide
CID 61122923
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbothioamide
CID 61122924
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cycloheptane-1-carbothioamide
CID 61123133
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide
CID 61123134
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-ethylbutanethioamide
CID 61123325
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide
CID 61123775
1-(Pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 61125054
N-[1-(aminomethyl)cyclopentyl]-N-propylpropane-1-sulfonamide
CID 62008035
N-[1-(aminomethyl)cyclopentyl]-N-propylbutane-1-sulfonamide
CID 62008232
N-[1-(aminomethyl)cyclopentyl]-N-propylethanesulfonamide
CID 62008233
N-[1-(aminomethyl)cyclopentyl]-N-ethylpropane-1-sulfonamide
CID 62008428
N-[1-(aminomethyl)cyclopentyl]-N-ethylbutane-1-sulfonamide
CID 62008629

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide (CID 61122725) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide is NC(=S)C1(N2CCCS2(=O)=O)CCCC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide?
The InChIKey is OLOFYFWWEWVZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c10-8(14)9(4-1-2-5-9)11-6-3-7-15(11,12)13/h1-7H2,(H2,10,14).
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide has a molecular weight of 248.37 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 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-carbothioamide is sourced from PubChem (CID 61122725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).