1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide

C13H22N4O2S — CID 19582950

IUPAC1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C13H22N4O2S/c1-9-13(8-16(2)14-9)20(18,19)15-10-6-11-4-5-12(7-10)17(11)3/h8,10-12,15H,4-7H2,1-3H3
InChIKeyTWBMISIXNOYTHQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.63
Rot. Bonds3

About 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide (PubChem CID 19582950) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide
PubChem CID19582950
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C13H22N4O2S/c1-9-13(8-16(2)14-9)20(18,19)15-10-6-11-4-5-12(7-10)17(11)3/h8,10-12,15H,4-7H2,1-3H3
InChIKeyTWBMISIXNOYTHQ-UHFFFAOYSA-N
XLogP0.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide (CID 19582950) is 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NC1CC2CCC(C1)N2C.
What is the InChIKey of 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is TWBMISIXNOYTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-13(8-16(2)14-9)20(18,19)15-10-6-11-4-5-12(7-10)17(11)3/h8,10-12,15H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19582950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).