N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H19N3O3S2 — CID 114135571

IUPACN-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1c(CO)n[nH]c1C
InChIInChI=1S/C10H19N3O3S2/c1-4-17-6-7(2)13-18(15,16)10-8(3)11-12-9(10)5-14/h7,13-14H,4-6H2,1-3H3,(H,11,12)
InChIKeySOPHZZBDSUJTIG-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.63
Rot. Bonds7

About N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 114135571) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID114135571
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1c(CO)n[nH]c1C
InChIInChI=1S/C10H19N3O3S2/c1-4-17-6-7(2)13-18(15,16)10-8(3)11-12-9(10)5-14/h7,13-14H,4-6H2,1-3H3,(H,11,12)
InChIKeySOPHZZBDSUJTIG-UHFFFAOYSA-N
XLogP0.63
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
N-(1-cyclopropylpropan-2-yl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106065894
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
3-(hydroxymethyl)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 112667025
N-(1-methoxypropan-2-yl)-5-methyl-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106057161
3-(ethylaminomethyl)-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-4-sulfonamide
CID 106064926
3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 107817829
N-(1-ethylsulfanylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 113499307
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide
CID 113498913
3-(hydroxymethyl)-5-methyl-N-(5-methylsulfanylpentyl)-1H-pyrazole-4-sulfonamide
CID 106002472
5-methyl-4-(1-methylsulfonylpropan-2-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid
CID 64630000
N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114133349

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 114135571) is N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide is CCSCC(C)NS(=O)(=O)c1c(CO)n[nH]c1C.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SOPHZZBDSUJTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-4-17-6-7(2)13-18(15,16)10-8(3)11-12-9(10)5-14/h7,13-14H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114135571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).