N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C11H22N4O2S2 — CID 106083375

IUPACN-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cnn(CCNC)c1
InChIInChI=1S/C11H22N4O2S2/c1-4-18-9-10(2)14-19(16,17)11-7-13-15(8-11)6-5-12-3/h7-8,10,12,14H,4-6,9H2,1-3H3
InChIKeyWWNMWSHVEWUPKL-UHFFFAOYSA-N
MW306.46 g/mol
LogP0.52
Rot. Bonds9

About N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106083375) has the molecular formula C11H22N4O2S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106083375
Molecular FormulaC11H22N4O2S2
Molecular Weight306.46 g/mol
Exact Mass306.12
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cnn(CCNC)c1
InChIInChI=1S/C11H22N4O2S2/c1-4-18-9-10(2)14-19(16,17)11-7-13-15(8-11)6-5-12-3/h7-8,10,12,14H,4-6,9H2,1-3H3
InChIKeyWWNMWSHVEWUPKL-UHFFFAOYSA-N
XLogP0.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106084613
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106054208
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908
1-[3-(ethylamino)propyl]-N-(4-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106080120
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106003980
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106083375) is N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CCSCC(C)NS(=O)(=O)c1cnn(CCNC)c1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is WWNMWSHVEWUPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S2/c1-4-18-9-10(2)14-19(16,17)11-7-13-15(8-11)6-5-12-3/h7-8,10,12,14H,4-6,9H2,1-3H3.
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 306.46 g/mol, XLogP of 0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106083375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).