N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide

C14H24N4O5S2 — CID 71809158

IUPACN-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C14H24N4O5S2/c1-10-14(11(2)17(4)16-10)25(22,23)18-7-5-12(6-8-18)24(20,21)9-13(19)15-3/h12H,5-9H2,1-4H3,(H,15,19)
InChIKeyCBDQXSKHQBHGSO-UHFFFAOYSA-N
MW392.50 g/mol
LogP-0.65
Rot. Bonds5

About N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide (PubChem CID 71809158) has the molecular formula C14H24N4O5S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide
PubChem CID71809158
Molecular FormulaC14H24N4O5S2
Molecular Weight392.50 g/mol
Exact Mass392.12
IUPAC NameN-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C14H24N4O5S2/c1-10-14(11(2)17(4)16-10)25(22,23)18-7-5-12(6-8-18)24(20,21)9-13(19)15-3/h12H,5-9H2,1-4H3,(H,15,19)
InChIKeyCBDQXSKHQBHGSO-UHFFFAOYSA-N
XLogP-0.65
TPSA118.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
CID 8901144
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16277376
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 16273067
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 16279680
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16274436
8-(1,3,5-Trimethylpyrazol-4-yl)sulfonyl-1,4-dithia-8-azaspiro[4.5]decane
CID 155542317
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
CID 8898142
N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
CID 8901168
N-butan-2-yl-2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)acetamide
CID 16254627
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806316
3,5,6-Trimethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-2-one
CID 126820653

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide (CID 71809158) is N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide?
The InChIKey is CBDQXSKHQBHGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O5S2/c1-10-14(11(2)17(4)16-10)25(22,23)18-7-5-12(6-8-18)24(20,21)9-13(19)15-3/h12H,5-9H2,1-4H3,(H,15,19).
What are the key properties of N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide has a molecular weight of 392.50 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 71809158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).