4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide

C11H22N4O2S2 — CID 106080343

IUPAC4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC(C)CCSC
InChIInChI=1S/C11H22N4O2S2/c1-4-12-7-10-8-13-14-11(10)19(16,17)15-9(2)5-6-18-3/h8-9,12,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyZWUAJICVNGIOLM-UHFFFAOYSA-N
MW306.46 g/mol
LogP0.94
Rot. Bonds9

About 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide

4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106080343) has the molecular formula C11H22N4O2S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106080343
Molecular FormulaC11H22N4O2S2
Molecular Weight306.46 g/mol
Exact Mass306.12
IUPAC Name4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC(C)CCSC
InChIInChI=1S/C11H22N4O2S2/c1-4-12-7-10-8-13-14-11(10)19(16,17)15-9(2)5-6-18-3/h8-9,12,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyZWUAJICVNGIOLM-UHFFFAOYSA-N
XLogP0.94
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106004408
N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106028644
4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085113
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106080199
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085428
5-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106080295
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009
1-[4-(ethylaminomethyl)phenyl]-N-(4-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106080227
4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106018839
4-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 114142292

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 106080343) is 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NC(C)CCSC.
What is the InChIKey of 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ZWUAJICVNGIOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S2/c1-4-12-7-10-8-13-14-11(10)19(16,17)15-9(2)5-6-18-3/h8-9,12,15H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 306.46 g/mol, XLogP of 0.94, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106080343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).