N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C11H22N4O2S — CID 91646004

IUPACN-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCCC(N)CNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H22N4O2S/c1-5-6-10(12)7-13-18(16,17)11-8(2)14-15(4)9(11)3/h10,13H,5-7,12H2,1-4H3
InChIKeyXIUSNOBNIPUVQH-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.44
Rot. Bonds6

About N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 91646004) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID91646004
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCCC(N)CNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H22N4O2S/c1-5-6-10(12)7-13-18(16,17)11-8(2)14-15(4)9(11)3/h10,13H,5-7,12H2,1-4H3
InChIKeyXIUSNOBNIPUVQH-UHFFFAOYSA-N
XLogP0.44
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 8167944
1,3,5-trimethyl-1H-pyrazole-4-sulfonyl chloride
CID 2737340
N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
3,5-diethyl-1-methyl-1H-pyrazole-4-sulfonamide
CID 71756970
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024786
2-[2-Methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
CID 47185639
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 43531726
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633
3,5-dimethyl-1-octyl-1H-pyrazole-4-sulfonyl chloride
CID 60912114
1-(2-(dimethylamino)ethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride hydrochloride
CID 75480881

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 91646004) is N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide is CCCC(N)CNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is XIUSNOBNIPUVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-6-10(12)7-13-18(16,17)11-8(2)14-15(4)9(11)3/h10,13H,5-7,12H2,1-4H3.
What are the key properties of N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 91646004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).