3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide

C11H20N4O3S — CID 105359302

IUPAC3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2(C)CCOCC2)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-8-9(10(12)13-15(8)3)19(16,17)14-11(2)4-6-18-7-5-11/h14H,4-7H2,1-3H3,(H2,12,13)
InChIKeyDARGKZUFGQFBDS-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.16
Rot. Bonds3

About 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide (PubChem CID 105359302) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide
PubChem CID105359302
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2(C)CCOCC2)c(N)nn1C
InChIInChI=1S/C11H20N4O3S/c1-8-9(10(12)13-15(8)3)19(16,17)14-11(2)4-6-18-7-5-11/h14H,4-7H2,1-3H3,(H2,12,13)
InChIKeyDARGKZUFGQFBDS-UHFFFAOYSA-N
XLogP0.16
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide (CID 105359302) is 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NC2(C)CCOCC2)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide?
The InChIKey is DARGKZUFGQFBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-9(10(12)13-15(8)3)19(16,17)14-11(2)4-6-18-7-5-11/h14H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105359302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).