2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide

C11H18N4O3S — CID 115289879

IUPAC2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)NC2(C)CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H18N4O3S/c1-11(3-4-19(17,18)7-11)14-10(16)9(12)8-5-13-15(2)6-8/h5-6,9H,3-4,7,12H2,1-2H3,(H,14,16)
InChIKeySIHJVNLKTMVUAE-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.89
Rot. Bonds3

About 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289879) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289879
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)NC2(C)CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H18N4O3S/c1-11(3-4-19(17,18)7-11)14-10(16)9(12)8-5-13-15(2)6-8/h5-6,9H,3-4,7,12H2,1-2H3,(H,14,16)
InChIKeySIHJVNLKTMVUAE-UHFFFAOYSA-N
XLogP-0.89
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(2,3-dimethyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 114096057
2-amino-2-(1-methylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 115290409
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290396
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115360077
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678
1-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436333
2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290976
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289637

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115289879) is 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)NC2(C)CCS(=O)(=O)C2)cn1.
What is the InChIKey of 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is SIHJVNLKTMVUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-11(3-4-19(17,18)7-11)14-10(16)9(12)8-5-13-15(2)6-8/h5-6,9H,3-4,7,12H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 286.36 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).