2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

C11H17N3O3S — CID 60768161

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O3S/c1-8-10(6-13-14-8)5-12-11(15)4-9-2-3-18(16,17)7-9/h6,9H,2-5,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyPJGKIVJKNDQJCM-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.16
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 60768161) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID60768161
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O3S/c1-8-10(6-13-14-8)5-12-11(15)4-9-2-3-18(16,17)7-9/h6,9H,2-5,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyPJGKIVJKNDQJCM-UHFFFAOYSA-N
XLogP0.16
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 60768161) is 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1[nH]ncc1CNC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is PJGKIVJKNDQJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-10(6-13-14-8)5-12-11(15)4-9-2-3-18(16,17)7-9/h6,9H,2-5,7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 271.34 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 60768161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).