2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide

C8H16N2O2S2 — CID 61122724

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide
SMILESCCCC(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O2S2/c1-2-4-7(8(9)13)10-5-3-6-14(10,11)12/h7H,2-6H2,1H3,(H2,9,13)
InChIKeyHDJBQFYSIHSCLG-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.48
Rot. Bonds4

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide (PubChem CID 61122724) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide
PubChem CID61122724
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide
SMILESCCCC(C(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O2S2/c1-2-4-7(8(9)13)10-5-3-6-14(10,11)12/h7H,2-6H2,1H3,(H2,9,13)
InChIKeyHDJBQFYSIHSCLG-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.48
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-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide
CID 95322394
N-{[(2S,4S)-4-Fluoropyrrolidin-2-YL]methyl}butane-1-sulfonamide
CID 70758179
1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidine-2-carbothioamide
CID 83058634
2-[Cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanethioamide
CID 83059555
3-fluoro-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 119974052
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide
CID 59651724
N-[[(2S)-pyrrolidin-2-yl]methyl]cyclopropanesulfonamide
CID 59651751
3-(2-Methylpyrrolidin-1-yl)sulfonylpropan-1-amine
CID 60974514
N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 62540603
(1-Propan-2-ylsulfonylpyrrolidin-2-yl)methanamine
CID 63766975
N-(1-pyrrolidin-2-ylethyl)cyclopropanesulfonamide
CID 69256031
N-methyl-N-(pyrrolidin-2-ylmethyl)cyclopropanesulfonamide
CID 69256034

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide (CID 61122724) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide is CCCC(C(N)=S)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide?
The InChIKey is HDJBQFYSIHSCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-2-4-7(8(9)13)10-5-3-6-14(10,11)12/h7H,2-6H2,1H3,(H2,9,13).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide has a molecular weight of 236.36 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide is sourced from PubChem (CID 61122724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).