N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

C10H16N4O3S — CID 47162051

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCC1CCS(=O)(=O)C1)n1cncn1
InChIInChI=1S/C10H16N4O3S/c1-8(14-7-11-6-13-14)10(15)12-4-9-2-3-18(16,17)5-9/h6-9H,2-5H2,1H3,(H,12,15)
InChIKeyKUKARVCXDJUFEJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.61
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 47162051) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID47162051
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCC1CCS(=O)(=O)C1)n1cncn1
InChIInChI=1S/C10H16N4O3S/c1-8(14-7-11-6-13-14)10(15)12-4-9-2-3-18(16,17)5-9/h6-9H,2-5H2,1H3,(H,12,15)
InChIKeyKUKARVCXDJUFEJ-UHFFFAOYSA-N
XLogP-0.61
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 47162051) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCC1CCS(=O)(=O)C1)n1cncn1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KUKARVCXDJUFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-8(14-7-11-6-13-14)10(15)12-4-9-2-3-18(16,17)5-9/h6-9H,2-5H2,1H3,(H,12,15).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 272.33 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 47162051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).