3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide

C12H22N4O3S — CID 78820356

IUPAC3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1c(C)nn(C)c1C)C(N)=O
InChIInChI=1S/C12H22N4O3S/c1-6-7(2)10(12(13)17)15-20(18,19)11-8(3)14-16(5)9(11)4/h7,10,15H,6H2,1-5H3,(H2,13,17)
InChIKeyNDRAEQSKIVOQIU-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.22
Rot. Bonds6

About 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide

3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide (PubChem CID 78820356) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide
PubChem CID78820356
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1c(C)nn(C)c1C)C(N)=O
InChIInChI=1S/C12H22N4O3S/c1-6-7(2)10(12(13)17)15-20(18,19)11-8(3)14-16(5)9(11)4/h7,10,15H,6H2,1-5H3,(H2,13,17)
InChIKeyNDRAEQSKIVOQIU-UHFFFAOYSA-N
XLogP0.22
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide?
The IUPAC name of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide (CID 78820356) is 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide.
What is the SMILES notation for 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide?
The canonical SMILES for 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide is CCC(C)C(NS(=O)(=O)c1c(C)nn(C)c1C)C(N)=O.
What is the InChIKey of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide?
The InChIKey is NDRAEQSKIVOQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-6-7(2)10(12(13)17)15-20(18,19)11-8(3)14-16(5)9(11)4/h7,10,15H,6H2,1-5H3,(H2,13,17).
What are the key properties of 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide?
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide has a molecular weight of 302.40 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide is sourced from PubChem (CID 78820356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).