4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide

C14H26N4O2S — CID 106077357

IUPAC4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2[nH]ncc2CN)CC(C)(C)C1
InChIInChI=1S/C14H26N4O2S/c1-13(2)5-11(6-14(3,4)9-13)18-21(19,20)12-10(7-15)8-16-17-12/h8,11,18H,5-7,9,15H2,1-4H3,(H,16,17)
InChIKeyICAGWKGXPKIYLB-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.75
Rot. Bonds4

About 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106077357) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide
PubChem CID106077357
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2[nH]ncc2CN)CC(C)(C)C1
InChIInChI=1S/C14H26N4O2S/c1-13(2)5-11(6-14(3,4)9-13)18-21(19,20)12-10(7-15)8-16-17-12/h8,11,18H,5-7,9,15H2,1-4H3,(H,16,17)
InChIKeyICAGWKGXPKIYLB-UHFFFAOYSA-N
XLogP1.75
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106075143
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide
CID 106087849
4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide
CID 106081474
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076683
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
4-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 114142292
4-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106018506
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106063300
N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068893
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide (CID 106077357) is 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide is CC1(C)CC(NS(=O)(=O)c2[nH]ncc2CN)CC(C)(C)C1.
What is the InChIKey of 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ICAGWKGXPKIYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-13(2)5-11(6-14(3,4)9-13)18-21(19,20)12-10(7-15)8-16-17-12/h8,11,18H,5-7,9,15H2,1-4H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106077357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).