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

C12H20N4O2S — CID 102693564

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H20N4O2S/c1-2-16(19(17,18)12-5-6-13-15-12)11-7-9-3-4-10(8-11)14-9/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyIAGTTXAHJUOFON-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.70
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide (PubChem CID 102693564) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide
PubChem CID102693564
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C12H20N4O2S/c1-2-16(19(17,18)12-5-6-13-15-12)11-7-9-3-4-10(8-11)14-9/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyIAGTTXAHJUOFON-UHFFFAOYSA-N
XLogP0.70
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide
CID 61230576
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 61232487
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692189
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80577585
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691826
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692045
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide
CID 79672709
N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide
CID 102692275

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide (CID 102693564) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide is CCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide?
The InChIKey is IAGTTXAHJUOFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-16(19(17,18)12-5-6-13-15-12)11-7-9-3-4-10(8-11)14-9/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,13,15).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.70, 4 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-ethyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).