N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide

C9H17N3O3S — CID 79246508

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C9H17N3O3S/c1-6(2)8(5-13)12-16(14,15)9-4-10-11-7(9)3/h4,6,8,12-13H,5H2,1-3H3,(H,10,11)/t8-/m1/s1
InChIKeyPGTUPLMUWZAKCE-MRVPVSSYSA-N
MW247.32 g/mol
LogP0.01
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 79246508) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID79246508
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C9H17N3O3S/c1-6(2)8(5-13)12-16(14,15)9-4-10-11-7(9)3/h4,6,8,12-13H,5H2,1-3H3,(H,10,11)/t8-/m1/s1
InChIKeyPGTUPLMUWZAKCE-MRVPVSSYSA-N
XLogP0.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 79246508) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PGTUPLMUWZAKCE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-6(2)8(5-13)12-16(14,15)9-4-10-11-7(9)3/h4,6,8,12-13H,5H2,1-3H3,(H,10,11)/t8-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 79246508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).