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

C10H19N3O2S2 — CID 112551419

IUPACN,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H19N3O2S2/c1-5-9(7-16-4)13(3)17(14,15)10-6-11-12-8(10)2/h6,9H,5,7H2,1-4H3,(H,11,12)
InChIKeyUZJLYEKXQBVGCJ-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.48
Rot. Bonds6

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

N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 112551419) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID112551419
Molecular FormulaC10H19N3O2S2
Molecular Weight277.42 g/mol
Exact Mass277.09
IUPAC NameN,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H19N3O2S2/c1-5-9(7-16-4)13(3)17(14,15)10-6-11-12-8(10)2/h6,9H,5,7H2,1-4H3,(H,11,12)
InChIKeyUZJLYEKXQBVGCJ-UHFFFAOYSA-N
XLogP1.48
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
CID 112664023
5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959940
N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959234
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656640
5-amino-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656623
5-amino-4-chloro-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115985199
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551441
4-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115986116
4-amino-2,6-dibromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115985226
N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 115987150

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 112551419) is N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide is CCC(CSC)N(C)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is UZJLYEKXQBVGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-5-9(7-16-4)13(3)17(14,15)10-6-11-12-8(10)2/h6,9H,5,7H2,1-4H3,(H,11,12).
What are the key properties of N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 277.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112551419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).