N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide

C13H26N4O2S2 — CID 106084613

IUPACN-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1cnn(CCCNC)c1
InChIInChI=1S/C13H26N4O2S2/c1-4-20-9-6-12(2)16-21(18,19)13-10-15-17(11-13)8-5-7-14-3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyUXEKATDUYQAXCQ-UHFFFAOYSA-N
MW334.51 g/mol
LogP1.30
Rot. Bonds11

About N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide

N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide (PubChem CID 106084613) has the molecular formula C13H26N4O2S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
PubChem CID106084613
Molecular FormulaC13H26N4O2S2
Molecular Weight334.51 g/mol
Exact Mass334.15
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1cnn(CCCNC)c1
InChIInChI=1S/C13H26N4O2S2/c1-4-20-9-6-12(2)16-21(18,19)13-10-15-17(11-13)8-5-7-14-3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyUXEKATDUYQAXCQ-UHFFFAOYSA-N
XLogP1.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 51.30
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

N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106083375
1-[3-(ethylamino)propyl]-N-(4-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106080120
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-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
CID 106046344
3-[4-(hexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 62200769
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide (CID 106084613) is N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide is CCSCCC(C)NS(=O)(=O)c1cnn(CCCNC)c1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide?
The InChIKey is UXEKATDUYQAXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S2/c1-4-20-9-6-12(2)16-21(18,19)13-10-15-17(11-13)8-5-7-14-3/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide?
N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 1.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106084613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).