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

C10H19N3O2S2 — CID 61123774

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide
SMILESCN1CCC(C(N)=S)(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C10H19N3O2S2/c1-12-6-3-10(4-7-12,9(11)16)13-5-2-8-17(13,14)15/h2-8H2,1H3,(H2,11,16)
InChIKeyHZGXTYFAZXHEEW-UHFFFAOYSA-N
MW277.41 g/mol
LogP-0.23
Rot. Bonds2

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

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide (PubChem CID 61123774) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide
PubChem CID61123774
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide
SMILESCN1CCC(C(N)=S)(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C10H19N3O2S2/c1-12-6-3-10(4-7-12,9(11)16)13-5-2-8-17(13,14)15/h2-8H2,1H3,(H2,11,16)
InChIKeyHZGXTYFAZXHEEW-UHFFFAOYSA-N
XLogP-0.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-(4,4,4-trifluorobutylsulfonylamino)piperidine-4-carbothioamide
CID 83048165
N-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylethanesulfonamide
CID 54949690
N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide
CID 54972503
1-[2-(2,2-Dimethylpyrrolidin-1-yl)sulfonylethyl]piperazine
CID 55163105
2-[4-(1,1-Dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide
CID 55249624
4-(Cyclohexylsulfonylamino)-1-methylpiperidine-4-carbothioamide
CID 61122766
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carbothioamide
CID 61122923
4-(Methanesulfonamido)-1-methylpiperidine-4-carbothioamide
CID 61122963
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-methylbutanethioamide
CID 61123134
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-ethylbutanethioamide
CID 61123325
1-Methyl-4-(pyrrolidin-1-ylsulfonylamino)piperidine-4-carbothioamide
CID 61123382
1-Methyl-4-(propan-2-ylsulfonylamino)piperidine-4-carbothioamide
CID 61123750

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide (CID 61123774) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide is CN1CCC(C(N)=S)(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide?
The InChIKey is HZGXTYFAZXHEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-12-6-3-10(4-7-12,9(11)16)13-5-2-8-17(13,14)15/h2-8H2,1H3,(H2,11,16).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide has a molecular weight of 277.41 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 61123774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).