N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide

C13H24N4O2S — CID 104709256

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-11-4-7-13(10-14,8-5-11)16-20(18,19)12-6-9-15-17(12)2/h6,9,11,16H,3-5,7-8,10,14H2,1-2H3
InChIKeyHMKCDPQKYOAXDK-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.00
Rot. Bonds5

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104709256) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104709256
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-11-4-7-13(10-14,8-5-11)16-20(18,19)12-6-9-15-17(12)2/h6,9,11,16H,3-5,7-8,10,14H2,1-2H3
InChIKeyHMKCDPQKYOAXDK-UHFFFAOYSA-N
XLogP1.00
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104710096
N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104710572
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 54937046
1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
CID 28940754
N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide
CID 28940738
N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120708226
N-[(3-aminocyclopentyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 114146761
1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
CID 114803370
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 114554625
N-cyclopentyl-2-methylpyrazole-3-sulfonamide
CID 104709770
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpyrazole-3-sulfonamide
CID 104709314

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide (CID 104709256) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide is CCC1CCC(CN)(NS(=O)(=O)c2ccnn2C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is HMKCDPQKYOAXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-11-4-7-13(10-14,8-5-11)16-20(18,19)12-6-9-15-17(12)2/h6,9,11,16H,3-5,7-8,10,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).