N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide

C14H26N4O2S — CID 106068893

IUPACN-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C14H26N4O2S/c1-4-15-8-12-9-16-17-14(12)21(19,20)18-13-6-10(2)5-11(3)7-13/h9-11,13,15,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyGJDVRXDGZHVMDE-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.62
Rot. Bonds6

About N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106068893) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106068893
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C14H26N4O2S/c1-4-15-8-12-9-16-17-14(12)21(19,20)18-13-6-10(2)5-11(3)7-13/h9-11,13,15,18H,4-8H2,1-3H3,(H,16,17)
InChIKeyGJDVRXDGZHVMDE-UHFFFAOYSA-N
XLogP1.62
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106027691
4-(ethylaminomethyl)-N-(2-methyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106094012
4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106086431
N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106075100
4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106093464
N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 114551758
N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009
4-(ethylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106094891
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
4-(ethylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-sulfonamide
CID 106082919

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106068893) is N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NC1CC(C)CC(C)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is GJDVRXDGZHVMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-15-8-12-9-16-17-14(12)21(19,20)18-13-6-10(2)5-11(3)7-13/h9-11,13,15,18H,4-8H2,1-3H3,(H,16,17).
What are the key properties of N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106068893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).