N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide

C12H22N4O2S — CID 54937046

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H22N4O2S/c1-2-10-3-5-12(9-13,6-4-10)16-19(17,18)11-7-14-15-8-11/h7-8,10,16H,2-6,9,13H2,1H3,(H,14,15)
InChIKeyVQBGZNOWWJZTNO-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.99
Rot. Bonds5

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54937046) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide
PubChem CID54937046
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H22N4O2S/c1-2-10-3-5-12(9-13,6-4-10)16-19(17,18)11-7-14-15-8-11/h7-8,10,16H,2-6,9,13H2,1H3,(H,14,15)
InChIKeyVQBGZNOWWJZTNO-UHFFFAOYSA-N
XLogP0.99
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61354875
1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
CID 28940754
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104709256
N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 114293726
N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide
CID 47377357
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
CID 114803370
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-fluorobenzenesulfonamide
CID 43119831
N-[1-(aminomethyl)-4-methylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929899
N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 103697702
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide
CID 62955865

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide (CID 54937046) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide is CCC1CCC(CN)(NS(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VQBGZNOWWJZTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-2-10-3-5-12(9-13,6-4-10)16-19(17,18)11-7-14-15-8-11/h7-8,10,16H,2-6,9,13H2,1H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54937046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).