N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide

C9H17N3O3S2 — CID 103861135

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H17N3O3S2/c1-7(9(6-13)16-3)11-17(14,15)8-4-10-12(2)5-8/h4-5,7,9,11,13H,6H2,1-3H3
InChIKeyYTKTUHCRVLWKCR-UHFFFAOYSA-N
MW279.39 g/mol
LogP-0.19
Rot. Bonds6

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 103861135) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID103861135
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCSC(CO)C(C)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H17N3O3S2/c1-7(9(6-13)16-3)11-17(14,15)8-4-10-12(2)5-8/h4-5,7,9,11,13H,6H2,1-3H3
InChIKeyYTKTUHCRVLWKCR-UHFFFAOYSA-N
XLogP-0.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 115722526
3-[(1-methylpyrazol-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 111440339
4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
(2S)-4-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935052
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61154150
N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
3-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113340729
N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 75387183
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185
N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 55033286
N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-4-(2-methylpropoxy)benzenesulfonamide
CID 97246570
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide (CID 103861135) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide is CSC(CO)C(C)NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is YTKTUHCRVLWKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-7(9(6-13)16-3)11-17(14,15)8-4-10-12(2)5-8/h4-5,7,9,11,13H,6H2,1-3H3.
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 279.39 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 103861135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).