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

C10H18N2O2S2 — CID 61122923

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide
SMILESNC(=S)C1(N2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C10H18N2O2S2/c11-9(15)10(5-2-1-3-6-10)12-7-4-8-16(12,13)14/h1-8H2,(H2,11,15)
InChIKeyNURZVKOPSDVXPP-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.01
Rot. Bonds2

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

1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide (PubChem CID 61122923) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide
PubChem CID61122923
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide
SMILESNC(=S)C1(N2CCCS2(=O)=O)CCCCC1
InChIInChI=1S/C10H18N2O2S2/c11-9(15)10(5-2-1-3-6-10)12-7-4-8-16(12,13)14/h1-8H2,(H2,11,15)
InChIKeyNURZVKOPSDVXPP-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.01
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

N-(cyclohexylmethyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanamine
CID 55088707
[1-(Cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine
CID 55241784
1-(Pyrrolidin-1-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122468
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclopentane-1-carbothioamide
CID 61122725
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)-4-methylcyclohexane-1-carbothioamide
CID 61122924
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)-4-ethylcyclohexane-1-carbothioamide
CID 61122925
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cycloheptane-1-carbothioamide
CID 61123133
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-ethylbutanethioamide
CID 61123325
2-Cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
CID 61123527
4-(1,1-Dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide
CID 61123774
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclooctane-1-carbothioamide
CID 61123775
N-[1-(aminomethyl)cyclopentyl]-1-cyclohexyl-N-ethylmethanesulfonamide
CID 62007437

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide (CID 61122923) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide is NC(=S)C1(N2CCCS2(=O)=O)CCCCC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide?
The InChIKey is NURZVKOPSDVXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c11-9(15)10(5-2-1-3-6-10)12-7-4-8-16(12,13)14/h1-8H2,(H2,11,15).
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide has a molecular weight of 262.40 g/mol, XLogP of 1.01, 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)cyclohexane-1-carbothioamide is sourced from PubChem (CID 61122923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).