3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide

C8H16N4O3S — CID 107213382

IUPAC3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H16N4O3S/c1-3-6(5-13)11-16(14,15)7-4-12(2)10-8(7)9/h4,6,11,13H,3,5H2,1-2H3,(H2,9,10)/t6-/m1/s1
InChIKeyZVEUOQPKORBMNJ-ZCFIWIBFSA-N
MW248.31 g/mol
LogP-0.95
Rot. Bonds5

About 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide

3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 107213382) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID107213382
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C8H16N4O3S/c1-3-6(5-13)11-16(14,15)7-4-12(2)10-8(7)9/h4,6,11,13H,3,5H2,1-2H3,(H2,9,10)/t6-/m1/s1
InChIKeyZVEUOQPKORBMNJ-ZCFIWIBFSA-N
XLogP-0.95
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 61240297
3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107860621
3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60810421
3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 61240299
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 62524294
3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 106281103
3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60813866
3-amino-N-(3-hydroxybutyl)-1-methylpyrazole-4-sulfonamide
CID 64929598
3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 113494400
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
3-amino-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 60814194

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide (CID 107213382) is 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide is CC[C@H](CO)NS(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ZVEUOQPKORBMNJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-3-6(5-13)11-16(14,15)7-4-12(2)10-8(7)9/h4,6,11,13H,3,5H2,1-2H3,(H2,9,10)/t6-/m1/s1.
What are the key properties of 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 107213382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).