4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide

C9H17N3O3S — CID 146082093

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C9H17N3O3S/c10-9(13)11-5-2-8(3-6-11)12-4-1-7-16(12,14)15/h8H,1-7H2,(H2,10,13)
InChIKeyOXDHPQZHOIDMKM-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.44
Rot. Bonds1

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide (PubChem CID 146082093) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
PubChem CID146082093
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C9H17N3O3S/c10-9(13)11-5-2-8(3-6-11)12-4-1-7-16(12,14)15/h8H,1-7H2,(H2,10,13)
InChIKeyOXDHPQZHOIDMKM-UHFFFAOYSA-N
XLogP-0.44
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide (CID 146082093) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide is NC(=O)N1CCC(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
The InChIKey is OXDHPQZHOIDMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c10-9(13)11-5-2-8(3-6-11)12-4-1-7-16(12,14)15/h8H,1-7H2,(H2,10,13).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide has a molecular weight of 247.32 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146082093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).