3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole

C6H12N4OS — CID 146617622

IUPAC3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole
SMILES[H]N=S(N)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C6H12N4OS/c1-5(2)10-4-3-6(9-10)12(7,8)11/h3-5H,1-2H3,(H3,7,8,11)
InChIKeyDEYFJGMREZAOAF-UHFFFAOYSA-N
MW188.26 g/mol
LogP0.74
Rot. Bonds2

About 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole

3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole (PubChem CID 146617622) has the molecular formula C6H12N4OS and a molecular weight of 188.26 g/mol. Its IUPAC name is 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole
PubChem CID146617622
Molecular FormulaC6H12N4OS
Molecular Weight188.26 g/mol
Exact Mass188.07
IUPAC Name3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole
SMILES[H]N=S(N)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C6H12N4OS/c1-5(2)10-4-3-6(9-10)12(7,8)11/h3-5H,1-2H3,(H3,7,8,11)
InChIKeyDEYFJGMREZAOAF-UHFFFAOYSA-N
XLogP0.74
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole (CID 146617622) is 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole is [H]N=S(N)(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole?
The InChIKey is DEYFJGMREZAOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4OS/c1-5(2)10-4-3-6(9-10)12(7,8)11/h3-5H,1-2H3,(H3,7,8,11).
What are the key properties of 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole?
3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole has a molecular weight of 188.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminosulfonimidoyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 146617622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).