2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide

C9H13N3O3S2 — CID 43430742

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)Nc1cn[nH]c1
InChIInChI=1S/C9H13N3O3S2/c13-9(12-7-3-10-11-4-7)5-16-8-1-2-17(14,15)6-8/h3-4,8H,1-2,5-6H2,(H,10,11)(H,12,13)
InChIKeyUINUBTGQPVTNSR-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.27
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43430742) has the molecular formula C9H13N3O3S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43430742
Molecular FormulaC9H13N3O3S2
Molecular Weight275.35 g/mol
Exact Mass275.04
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)Nc1cn[nH]c1
InChIInChI=1S/C9H13N3O3S2/c13-9(12-7-3-10-11-4-7)5-16-8-1-2-17(14,15)6-8/h3-4,8H,1-2,5-6H2,(H,10,11)(H,12,13)
InChIKeyUINUBTGQPVTNSR-UHFFFAOYSA-N
XLogP0.27
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide (CID 43430742) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide is O=C(CSC1CCS(=O)(=O)C1)Nc1cn[nH]c1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is UINUBTGQPVTNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S2/c13-9(12-7-3-10-11-4-7)5-16-8-1-2-17(14,15)6-8/h3-4,8H,1-2,5-6H2,(H,10,11)(H,12,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43430742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).