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

C12H20N4O2S — CID 61230576

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H20N4O2S/c1-2-16(19(17,18)12-7-13-14-8-12)11-5-9-3-4-10(6-11)15-9/h7-11,15H,2-6H2,1H3,(H,13,14)
InChIKeyQYOLIQNIQPPXBF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.70
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide (PubChem CID 61230576) 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-4-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide
PubChem CID61230576
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H20N4O2S/c1-2-16(19(17,18)12-7-13-14-8-12)11-5-9-3-4-10(6-11)15-9/h7-11,15H,2-6H2,1H3,(H,13,14)
InChIKeyQYOLIQNIQPPXBF-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-5-sulfonamide
CID 102693564
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,5-dimethylthiophene-3-sulfonamide
CID 61232487
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide
CID 60959464
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80577585
2-[(1,1-dioxothiolan-3-yl)-(1H-pyrazol-4-ylsulfonyl)amino]acetic acid
CID 60916766
N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 62855891
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylprop-2-ene-1-sulfonamide
CID 79672709
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63288003
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
CID 61231138
N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
CID 60916490
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide
CID 61232982

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide (CID 61230576) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide is CCN(C1CC2CCC(C1)N2)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QYOLIQNIQPPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-16(19(17,18)12-7-13-14-8-12)11-5-9-3-4-10(6-11)15-9/h7-11,15H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-4-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-4-sulfonamide is sourced from PubChem (CID 61230576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).