4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide

C13H24N4O2S — CID 106071409

IUPAC4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NC2CCCCC2(C)C)c1CN
InChIInChI=1S/C13H24N4O2S/c1-9-10(8-14)12(16-15-9)20(18,19)17-11-6-4-5-7-13(11,2)3/h11,17H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyMTJLGPORCVDTER-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.42
Rot. Bonds4

About 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106071409) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106071409
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NC2CCCCC2(C)C)c1CN
InChIInChI=1S/C13H24N4O2S/c1-9-10(8-14)12(16-15-9)20(18,19)17-11-6-4-5-7-13(11,2)3/h11,17H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyMTJLGPORCVDTER-UHFFFAOYSA-N
XLogP1.42
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-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-(cyclopentylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106026981
N-(2,2-dimethylcyclohexyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106071371
4-(aminomethyl)-N-(4-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106053103
4-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106090791
4-(aminomethyl)-5-methyl-N-(thian-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106078610
5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide
CID 106071365
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79862022
N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 79872664
2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 79878440
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021
4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106085938

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 106071409) is 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)NC2CCCCC2(C)C)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is MTJLGPORCVDTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9-10(8-14)12(16-15-9)20(18,19)17-11-6-4-5-7-13(11,2)3/h11,17H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106071409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).