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

C8H15N3O2S2 — CID 115899543

IUPACN-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S2/c1-3-7(6-14-2)11-15(12,13)8-4-9-10-5-8/h4-5,7,11H,3,6H2,1-2H3,(H,9,10)
InChIKeyOLTCIODHMUFUGQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.83
Rot. Bonds6

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

N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 115899543) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID115899543
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S2/c1-3-7(6-14-2)11-15(12,13)8-4-9-10-5-8/h4-5,7,11H,3,6H2,1-2H3,(H,9,10)
InChIKeyOLTCIODHMUFUGQ-UHFFFAOYSA-N
XLogP0.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide
CID 106898738
N'-hydroxy-3-(1H-pyrazol-4-ylsulfonylamino)pentanimidamide
CID 76947951
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide
CID 61123860
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 79267207
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
N-(1-methylsulfanylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106083874
4-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 114142292
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 115899543) is N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide is CCC(CSC)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OLTCIODHMUFUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-3-7(6-14-2)11-15(12,13)8-4-9-10-5-8/h4-5,7,11H,3,6H2,1-2H3,(H,9,10).
What are the key properties of N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 249.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115899543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).