2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide

C12H22N4O3S — CID 47185639

IUPAC2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C12H22N4O3S/c1-8(2)6-16(7-11(13)17)20(18,19)12-9(3)14-15(5)10(12)4/h8H,6-7H2,1-5H3,(H2,13,17)
InChIKeyHJEDGHMUAIOLMX-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.17
Rot. Bonds6

About 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide

2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide (PubChem CID 47185639) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
PubChem CID47185639
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C12H22N4O3S/c1-8(2)6-16(7-11(13)17)20(18,19)12-9(3)14-15(5)10(12)4/h8H,6-7H2,1-5H3,(H2,13,17)
InChIKeyHJEDGHMUAIOLMX-UHFFFAOYSA-N
XLogP0.17
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide (CID 47185639) is 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(N)=O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide?
The InChIKey is HJEDGHMUAIOLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-8(2)6-16(7-11(13)17)20(18,19)12-9(3)14-15(5)10(12)4/h8H,6-7H2,1-5H3,(H2,13,17).
What are the key properties of 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide?
2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide has a molecular weight of 302.40 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 47185639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).