1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide

C12H22N2O2S2 — CID 61122925

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide
SMILESCCC1CCC(C(N)=S)(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C12H22N2O2S2/c1-2-10-4-6-12(7-5-10,11(13)17)14-8-3-9-18(14,15)16/h10H,2-9H2,1H3,(H2,13,17)
InChIKeyWZTLROLWAOJBLD-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.65
Rot. Bonds3

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide

1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide (PubChem CID 61122925) 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)-4-ethylcyclohexane-1-carbothioamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide
PubChem CID61122925
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide
SMILESCCC1CCC(C(N)=S)(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C12H22N2O2S2/c1-2-10-4-6-12(7-5-10,11(13)17)14-8-3-9-18(14,15)16/h10H,2-9H2,1H3,(H2,13,17)
InChIKeyWZTLROLWAOJBLD-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.65
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

4-Ethyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122475
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
4-Methyl-1-(pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61123275
2-Cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
CID 61123527
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide
CID 61123775
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylpropane-1-sulfonamide
CID 62008420
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylbutane-1-sulfonamide
CID 62008620
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylethanesulfonamide
CID 62008621
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylpropane-1-sulfonamide
CID 62008810
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethylbutane-1-sulfonamide
CID 62008811

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide (CID 61122925) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide is CCC1CCC(C(N)=S)(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide?
The InChIKey is WZTLROLWAOJBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-2-10-4-6-12(7-5-10,11(13)17)14-8-3-9-18(14,15)16/h10H,2-9H2,1H3,(H2,13,17).
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide has a molecular weight of 290.45 g/mol, XLogP of 1.65, 3 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)-4-ethylcyclohexane-1-carbothioamide is sourced from PubChem (CID 61122925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).