3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide

C10H19N3O2S2 — CID 115901933

IUPAC3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H19N3O2S2/c1-7(16-4)5-6-11-17(14,15)10-8(2)12-13-9(10)3/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeySXAOCNSZPJFKLG-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.45
Rot. Bonds6

About 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 115901933) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
PubChem CID115901933
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H19N3O2S2/c1-7(16-4)5-6-11-17(14,15)10-8(2)12-13-9(10)3/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeySXAOCNSZPJFKLG-UHFFFAOYSA-N
XLogP1.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901976
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106245504
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120664979
3,5-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 103914933
3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110368560
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43215038
N-(2-amino-3-hydroxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64540635

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide (CID 115901933) is 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide is CSC(C)CCNS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SXAOCNSZPJFKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-7(16-4)5-6-11-17(14,15)10-8(2)12-13-9(10)3/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115901933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).