2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide

C11H20N2O2S2 — CID 61123527

IUPAC2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
SMILESNC(=S)C(C1CCCCC1)N1CCCS1(=O)=O
InChIInChI=1S/C11H20N2O2S2/c12-11(16)10(9-5-2-1-3-6-9)13-7-4-8-17(13,14)15/h9-10H,1-8H2,(H2,12,16)
InChIKeyCJYWBWUMDXIZCL-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.26
Rot. Bonds3

About 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide

2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide (PubChem CID 61123527) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
PubChem CID61123527
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide
SMILESNC(=S)C(C1CCCCC1)N1CCCS1(=O)=O
InChIInChI=1S/C11H20N2O2S2/c12-11(16)10(9-5-2-1-3-6-9)13-7-4-8-17(13,14)15/h9-10H,1-8H2,(H2,12,16)
InChIKeyCJYWBWUMDXIZCL-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.26
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-[(2,2-Difluorocyclohexyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 128921134
2-(2-Cyclohexyl-2-piperazin-1-ylethyl)-1,2-thiazolidine 1,1-dioxide
CID 69431864
1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 70331886
2-[2-(Aminomethyl)cyclohexyl]-1lambda6,2-thiazolidine-1,1-dione
CID 43619988
4-(Pyrrolidin-1-ylsulfonylmethyl)cyclohexan-1-amine
CID 44228569
N-(2-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972054
N-(4-ethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972155
N-(cyclohexylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972553
N-(cyclohexylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972628
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972740
N-(1-cyclohexylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55069415
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methylcyclohexan-1-amine
CID 55088705

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide (CID 61123527) is 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide is NC(=S)C(C1CCCCC1)N1CCCS1(=O)=O.
What is the InChIKey of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
The InChIKey is CJYWBWUMDXIZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c12-11(16)10(9-5-2-1-3-6-9)13-7-4-8-17(13,14)15/h9-10H,1-8H2,(H2,12,16).
What are the key properties of 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide?
2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide has a molecular weight of 276.43 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanethioamide is sourced from PubChem (CID 61123527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).