N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C14H26N4O2S — CID 28940748

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H26N4O2S/c1-4-12-5-7-14(9-15,8-6-12)18-21(19,20)13-10(2)16-17-11(13)3/h12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyQFKNADRKXLAPHL-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 28940748) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID28940748
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H26N4O2S/c1-4-12-5-7-14(9-15,8-6-12)18-21(19,20)13-10(2)16-17-11(13)3/h12,18H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyQFKNADRKXLAPHL-UHFFFAOYSA-N
XLogP1.60
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 60715081
3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 60722124
3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 60722153
N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 126460304
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine
CID 28706883
N-(2-aminoethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28708335
N-(3-aminopropyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754128
N-(4-aminobutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754341
3,5-dimethyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 28784812
3,5-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 28784852
3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 28784855
N-[1-(aminomethyl)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28940486

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 28940748) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCC1CCC(CN)(NS(=O)(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QFKNADRKXLAPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-12-5-7-14(9-15,8-6-12)18-21(19,20)13-10(2)16-17-11(13)3/h12,18H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.60, 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]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 28940748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).