2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide

C10H19N3O2S2 — CID 55249624

IUPAC2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C10H19N3O2S2/c11-10(16)8-12-5-2-9(3-6-12)13-4-1-7-17(13,14)15/h9H,1-8H2,(H2,11,16)
InChIKeyNMISTCBAFYWUJK-UHFFFAOYSA-N
MW277.41 g/mol
LogP-0.23
Rot. Bonds3

About 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide

2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide (PubChem CID 55249624) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide
PubChem CID55249624
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide
SMILESNC(=S)CN1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C10H19N3O2S2/c11-10(16)8-12-5-2-9(3-6-12)13-4-1-7-17(13,14)15/h9H,1-8H2,(H2,11,16)
InChIKeyNMISTCBAFYWUJK-UHFFFAOYSA-N
XLogP-0.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide?
The IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide (CID 55249624) is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide?
The canonical SMILES for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide is NC(=S)CN1CCC(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide?
The InChIKey is NMISTCBAFYWUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c11-10(16)8-12-5-2-9(3-6-12)13-4-1-7-17(13,14)15/h9H,1-8H2,(H2,11,16).
What are the key properties of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide?
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide has a molecular weight of 277.41 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]ethanethioamide is sourced from PubChem (CID 55249624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).