N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide

C9H18N4O3S — CID 114243749

IUPACN-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide
SMILESCN(CCOCCN)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H18N4O3S/c1-12(6-8-16-7-4-10)17(14,15)9-3-5-11-13(9)2/h3,5H,4,6-8,10H2,1-2H3
InChIKeyZUUNNNCKBXPSCY-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.98
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide

N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide (PubChem CID 114243749) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide
PubChem CID114243749
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide
SMILESCN(CCOCCN)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H18N4O3S/c1-12(6-8-16-7-4-10)17(14,15)9-3-5-11-13(9)2/h3,5H,4,6-8,10H2,1-2H3
InChIKeyZUUNNNCKBXPSCY-UHFFFAOYSA-N
XLogP-0.98
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-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

N-(3-amino-2-methylpropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104709309
N-(1-aminopropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide;hydrochloride
CID 120710548
N-(2-bromo-3-methoxypropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710609
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
CID 104709257
2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709586
N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 104709984
3-[2-methoxyethyl-(2-methylpyrazol-3-yl)sulfonylamino]propanethioamide
CID 104709936
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710370
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709269
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
5-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81056979

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide (CID 114243749) is N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide is CN(CCOCCN)S(=O)(=O)c1ccnn1C.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide?
The InChIKey is ZUUNNNCKBXPSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-12(6-8-16-7-4-10)17(14,15)9-3-5-11-13(9)2/h3,5H,4,6-8,10H2,1-2H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide?
N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide is sourced from PubChem (CID 114243749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).