4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide

C6H12N4O2S — CID 166681728

IUPAC4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(CN)cn1
InChIInChI=1S/C6H12N4O2S/c1-9(2)13(11,12)10-5-6(3-7)4-8-10/h4-5H,3,7H2,1-2H3
InChIKeySUMSPIUSTZYZTI-UHFFFAOYSA-N
MW204.26 g/mol
LogP-1.00
Rot. Bonds3

About 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide

4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide (PubChem CID 166681728) has the molecular formula C6H12N4O2S and a molecular weight of 204.26 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide
PubChem CID166681728
Molecular FormulaC6H12N4O2S
Molecular Weight204.26 g/mol
Exact Mass204.07
IUPAC Name4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cc(CN)cn1
InChIInChI=1S/C6H12N4O2S/c1-9(2)13(11,12)10-5-6(3-7)4-8-10/h4-5H,3,7H2,1-2H3
InChIKeySUMSPIUSTZYZTI-UHFFFAOYSA-N
XLogP-1.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide (CID 166681728) is 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide is CN(C)S(=O)(=O)n1cc(CN)cn1.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide?
The InChIKey is SUMSPIUSTZYZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-9(2)13(11,12)10-5-6(3-7)4-8-10/h4-5H,3,7H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide?
4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide has a molecular weight of 204.26 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethylpyrazole-1-sulfonamide is sourced from PubChem (CID 166681728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).