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

C9H17N3O2S2 — CID 102693435

IUPACN-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCSCCC(C)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O2S2/c1-8(5-7-15-3)12(2)16(13,14)9-4-6-10-11-9/h4,6,8H,5,7H2,1-3H3,(H,10,11)
InChIKeyYHMVLALUASOULL-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.17
Rot. Bonds6

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

N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693435) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693435
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCSCCC(C)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O2S2/c1-8(5-7-15-3)12(2)16(13,14)9-4-6-10-11-9/h4,6,8H,5,7H2,1-3H3,(H,10,11)
InChIKeyYHMVLALUASOULL-UHFFFAOYSA-N
XLogP1.17
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
CID 102693863
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102693125
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049
N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102693924
4-bromo-N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113239022
N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102691142
2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
CID 102691712
4-bromo-3-[methyl(4-methylsulfanylbutan-2-yl)sulfamoyl]benzoic acid
CID 104656578
N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102691107
4-chloro-3-[methyl(4-methylsulfanylbutan-2-yl)sulfamoyl]benzoic acid
CID 104656563

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102693435) is N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide is CSCCC(C)N(C)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is YHMVLALUASOULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-8(5-7-15-3)12(2)16(13,14)9-4-6-10-11-9/h4,6,8H,5,7H2,1-3H3,(H,10,11).
What are the key properties of N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 263.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).