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

C12H22N2O2S2 — CID 61123775

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide
SMILESNC(=S)C1(N2CCCS2(=O)=O)CCCCCCC1
InChIInChI=1S/C12H22N2O2S2/c13-11(17)12(7-4-2-1-3-5-8-12)14-9-6-10-18(14,15)16/h1-10H2,(H2,13,17)
InChIKeyKYWVOTTVIGHGJF-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.79
Rot. Bonds2

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

1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide (PubChem CID 61123775) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide
PubChem CID61123775
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide
SMILESNC(=S)C1(N2CCCS2(=O)=O)CCCCCCC1
InChIInChI=1S/C12H22N2O2S2/c13-11(17)12(7-4-2-1-3-5-8-12)14-9-6-10-18(14,15)16/h1-10H2,(H2,13,17)
InChIKeyKYWVOTTVIGHGJF-UHFFFAOYSA-N
XLogP1.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.79
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-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carbothioamide
CID 79875812
2-(4-methylpiperidin-4-yl)-1,2-thiazolidine 1,1-dioxide
CID 114697579
[1-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylcyclohexyl]methanamine
CID 115309158
1-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)cyclohexane-1-carbothioamide
CID 61124904
1-(4-methyl-2,6-dioxopiperidin-1-yl)cyclohexane-1-carbothioamide
CID 55156740
1-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclohexane-1-carbothioamide
CID 64837060
1-piperidin-1-ylcyclobutane-1-carboxamide
CID 175176421
2-(1,1-dioxo-1,2-thiazolidin-2-yl)butanethioamide
CID 61122723
1-aminocyclooctane-1-carbothioamide
CID 64981349
3-(1,1-dioxothiazinan-2-yl)propanethioamide
CID 116814614
1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 61291228
1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 126980533

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide (CID 61123775) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide is NC(=S)C1(N2CCCS2(=O)=O)CCCCCCC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide?
The InChIKey is KYWVOTTVIGHGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c13-11(17)12(7-4-2-1-3-5-8-12)14-9-6-10-18(14,15)16/h1-10H2,(H2,13,17).
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide has a molecular weight of 290.45 g/mol, XLogP of 1.79, 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)cyclooctane-1-carbothioamide is sourced from PubChem (CID 61123775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).