N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide

C9H18N4O2S — CID 115310721

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H18N4O2S/c1-7(2)9(3,6-10)13-16(14,15)8-4-11-12-5-8/h4-5,7,13H,6,10H2,1-3H3,(H,11,12)
InChIKeyXSPAPAKJQYHXMN-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.06
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 115310721) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID115310721
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H18N4O2S/c1-7(2)9(3,6-10)13-16(14,15)8-4-11-12-5-8/h4-5,7,13H,6,10H2,1-3H3,(H,11,12)
InChIKeyXSPAPAKJQYHXMN-UHFFFAOYSA-N
XLogP0.06
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 115310721) is N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide is CC(C)C(C)(CN)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is XSPAPAKJQYHXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-7(2)9(3,6-10)13-16(14,15)8-4-11-12-5-8/h4-5,7,13H,6,10H2,1-3H3,(H,11,12).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115310721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).