1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide

C11H22N4O2S2 — CID 106093633

IUPAC1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C11H22N4O2S2/c1-18-8-4-2-3-6-14-19(16,17)11-9-13-15(10-11)7-5-12/h9-10,14H,2-8,12H2,1H3
InChIKeyZAYQJAYSSIPFNK-UHFFFAOYSA-N
MW306.46 g/mol
LogP0.65
Rot. Bonds10

About 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide (PubChem CID 106093633) has the molecular formula C11H22N4O2S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
PubChem CID106093633
Molecular FormulaC11H22N4O2S2
Molecular Weight306.46 g/mol
Exact Mass306.12
IUPAC Name1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C11H22N4O2S2/c1-18-8-4-2-3-6-14-19(16,17)11-9-13-15(10-11)7-5-12/h9-10,14H,2-8,12H2,1H3
InChIKeyZAYQJAYSSIPFNK-UHFFFAOYSA-N
XLogP0.65
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115522912
N-(2-methylsulfanylethyl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106063821
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4-sulfonamide
CID 106068103
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 112667312

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide (CID 106093633) is 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide is CSCCCCCNS(=O)(=O)c1cnn(CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide?
The InChIKey is ZAYQJAYSSIPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S2/c1-18-8-4-2-3-6-14-19(16,17)11-9-13-15(10-11)7-5-12/h9-10,14H,2-8,12H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide has a molecular weight of 306.46 g/mol, XLogP of 0.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106093633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).