3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide

C8H16N2O2S2 — CID 60778022

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide
SMILESCCC(CC(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O2S2/c1-2-7(6-8(9)13)10-4-3-5-14(10,11)12/h7H,2-6H2,1H3,(H2,9,13)
InChIKeyZNAKGYZGHVVSFG-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.48
Rot. Bonds4

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide (PubChem CID 60778022) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide
PubChem CID60778022
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide
SMILESCCC(CC(N)=S)N1CCCS1(=O)=O
InChIInChI=1S/C8H16N2O2S2/c1-2-7(6-8(9)13)10-4-3-5-14(10,11)12/h7H,2-6H2,1H3,(H2,9,13)
InChIKeyZNAKGYZGHVVSFG-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

3-(2-Methylpyrrolidin-1-yl)sulfonylpropan-1-amine
CID 60974514
(1-Propan-2-ylsulfonylpyrrolidin-2-yl)methanamine
CID 63766975
(1-Propan-2-ylpyrrolidin-2-yl)methanesulfonamide
CID 137500307
2-[2-(Dimethylamino)ethyl]pyrrolidine-3-sulfonamide
CID 150652482
N-[2-(1-methylpyrrolidin-2-yl)ethyl]propane-2-sulfonamide
CID 167344205
N-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]ethanesulfonamide
CID 172528593
[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine
CID 28707013
[(2S)-1-butylsulfonylpyrrolidin-2-yl]methanamine
CID 28707015
N-(3-aminopropyl)-N-cyclopentylethanesulfonamide
CID 43137011
N-(3-aminopropyl)-N-cyclopentylbutane-1-sulfonamide
CID 43137012
N-(3-aminopropyl)-N-cyclopentylpropane-1-sulfonamide
CID 43137013
3-(1,1-Dioxo-1,2-thiazolidin-2-yl)pentan-1-amine
CID 43619977

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide (CID 60778022) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide is CCC(CC(N)=S)N1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide?
The InChIKey is ZNAKGYZGHVVSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-2-7(6-8(9)13)10-4-3-5-14(10,11)12/h7H,2-6H2,1H3,(H2,9,13).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide?
3-(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 3-(1,1-dioxo-1,2-thiazolidin-2-yl)pentanethioamide is sourced from PubChem (CID 60778022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).