6-(2-methylsulfonylpyrimidin-5-yl)hexanamide

C11H17N3O3S — CID 175811945

IUPAC6-(2-methylsulfonylpyrimidin-5-yl)hexanamide
SMILESCS(=O)(=O)c1ncc(CCCCCC(N)=O)cn1
InChIInChI=1S/C11H17N3O3S/c1-18(16,17)11-13-7-9(8-14-11)5-3-2-4-6-10(12)15/h7-8H,2-6H2,1H3,(H2,12,15)
InChIKeyWKQJELLHAZWYSP-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.47
Rot. Bonds7

About 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide

6-(2-methylsulfonylpyrimidin-5-yl)hexanamide (PubChem CID 175811945) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide.

Molecular Properties

Compound Name6-(2-methylsulfonylpyrimidin-5-yl)hexanamide
PubChem CID175811945
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name6-(2-methylsulfonylpyrimidin-5-yl)hexanamide
SMILESCS(=O)(=O)c1ncc(CCCCCC(N)=O)cn1
InChIInChI=1S/C11H17N3O3S/c1-18(16,17)11-13-7-9(8-14-11)5-3-2-4-6-10(12)15/h7-8H,2-6H2,1H3,(H2,12,15)
InChIKeyWKQJELLHAZWYSP-UHFFFAOYSA-N
XLogP0.47
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
2-(2,5-dioxopyrrolidin-1-yl)-6-(2-methylsulfonylpyrimidin-5-yl)hexanoic acid
CID 175982539
4-(4-methylsulfonylphenyl)butanamide
CID 66848825
8-(4-sulfamoylphenyl)octanamide
CID 67422603
1-(2-methylsulfonylpyrimidin-5-yl)hexan-2-amine
CID 175811986
7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264947
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
11-(4-fluorophenyl)undecanamide
CID 144640590
8-[4-tert-butyl-3-(methylsulfonylmethoxy)phenyl]octanamide
CID 141063989
4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide
CID 68995946
pentadecanediamide
CID 87429217
docosanediamide;hexacosanediamide
CID 129179979

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide?
The IUPAC name of 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide (CID 175811945) is 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide.
What is the SMILES notation for 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide?
The canonical SMILES for 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide is CS(=O)(=O)c1ncc(CCCCCC(N)=O)cn1.
What is the InChIKey of 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide?
The InChIKey is WKQJELLHAZWYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-18(16,17)11-13-7-9(8-14-11)5-3-2-4-6-10(12)15/h7-8H,2-6H2,1H3,(H2,12,15).
What are the key properties of 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide?
6-(2-methylsulfonylpyrimidin-5-yl)hexanamide has a molecular weight of 271.34 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylpyrimidin-5-yl)hexanamide is sourced from PubChem (CID 175811945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).