N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide

C11H19N3O4S — CID 24534436

IUPACN-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)NC1CCS(=O)(=O)C1)N1CCNC(=O)C1
InChIInChI=1S/C11H19N3O4S/c1-8(14-4-3-12-10(15)6-14)11(16)13-9-2-5-19(17,18)7-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyGHRDSKCFMMFXFU-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.89
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide

N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide (PubChem CID 24534436) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide
PubChem CID24534436
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)NC1CCS(=O)(=O)C1)N1CCNC(=O)C1
InChIInChI=1S/C11H19N3O4S/c1-8(14-4-3-12-10(15)6-14)11(16)13-9-2-5-19(17,18)7-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,16)
InChIKeyGHRDSKCFMMFXFU-UHFFFAOYSA-N
XLogP-1.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide (CID 24534436) is N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide is CC(C(=O)NC1CCS(=O)(=O)C1)N1CCNC(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide?
The InChIKey is GHRDSKCFMMFXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-8(14-4-3-12-10(15)6-14)11(16)13-9-2-5-19(17,18)7-9/h8-9H,2-7H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide?
N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide has a molecular weight of 289.36 g/mol, XLogP of -1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 24534436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).