4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide

C11H20N4O3S — CID 106075143

IUPAC4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2[nH]ncc2CN)CCO1
InChIInChI=1S/C11H20N4O3S/c1-11(2)5-9(3-4-18-11)15-19(16,17)10-8(6-12)7-13-14-10/h7,9,15H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyONMORAZDXLKTRZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.10
Rot. Bonds4

About 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106075143) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106075143
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2[nH]ncc2CN)CCO1
InChIInChI=1S/C11H20N4O3S/c1-11(2)5-9(3-4-18-11)15-19(16,17)10-8(6-12)7-13-14-10/h7,9,15H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyONMORAZDXLKTRZ-UHFFFAOYSA-N
XLogP0.10
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-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

N-[[5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 65763060
N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 65772016
N-methyl-4-(methylaminomethyl)-N-(oxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 65772971
4-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 65773544
4-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 65773741
4-(aminomethyl)-N-methyl-N-(oxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 65774124
N-methyl-N-(oxan-4-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 65774895
N-methyl-4-(methylaminomethyl)-N-(oxan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 65778499
4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 65778509
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 65778690
4-(aminomethyl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 65783272
N-(oxan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 65784642

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide (CID 106075143) is 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide is CC1(C)CC(NS(=O)(=O)c2[nH]ncc2CN)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ONMORAZDXLKTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-11(2)5-9(3-4-18-11)15-19(16,17)10-8(6-12)7-13-14-10/h7,9,15H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106075143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).