N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C13H22N4O2S — CID 61231261

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H22N4O2S/c1-8-13(9(2)16-15-8)20(18,19)17(3)12-6-10-4-5-11(7-12)14-10/h10-12,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyHSPXGTQWPXOIOG-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.93
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 61231261) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID61231261
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H22N4O2S/c1-8-13(9(2)16-15-8)20(18,19)17(3)12-6-10-4-5-11(7-12)14-10/h10-12,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyHSPXGTQWPXOIOG-UHFFFAOYSA-N
XLogP0.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azepane
CID 3240803
1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 3244235
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine
CID 5047365
1-(3,5-Dimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 4564826
N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226714
3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
CID 16767763
N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43243326
N-[3-(diethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16288064
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-methylpiperidine
CID 4368065
3,5-Dimethyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrazole
CID 4736860
N-cyclopentyl-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide dihydrochloride
CID 45791919
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247892

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 61231261) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HSPXGTQWPXOIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8-13(9(2)16-15-8)20(18,19)17(3)12-6-10-4-5-11(7-12)14-10/h10-12,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61231261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).